Unnamed: 0
int64
0
445k
level_0
int64
0
1.94M
index
float64
0
1.81M
original_rxn
stringlengths
104
2.67k
fragments
stringlengths
6
161
source
stringlengths
11
26
year
int64
1.98k
2.02k
mapped_rxn
stringlengths
110
2.63k
confidence
float64
0
1
canonical_rxn_with_fragment_info
stringlengths
25
599
canonical_rxn
stringlengths
25
599
ID
stringlengths
17
32
reaction_hash
stringlengths
56
56
reactants
stringlengths
55
1.33k
products
stringlengths
51
1.3k
retro_template
stringlengths
46
417
template_hash
stringclasses
1k values
selectivity
float64
0
1
outcomes
float64
1
15
reagents
stringlengths
1
370
labels
int64
0
999
95,786
371,992
635,820
[C:1]([O:5][C:6](=[O:16])[N:7]([C:9]1[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][CH:10]=1)[CH3:8])([CH3:4])([CH3:3])[CH3:2].[Br:17][CH2:18][CH2:19][CH2:20][CH2:21]Br>>[C:1]([O:5][C:6](=[O:16])[N:7]([C:9]1[CH:10]=[CH:11][C:12]([O:15][CH2:21][CH2:20][CH2:19][CH2:18][Br:17])=[CH:13][CH:14]=1)[CH3:8])([CH3:4])([CH3:2])[CH3:3]
null
US06683201B2_
2,004
Br[CH2:15][CH2:16][CH2:17][CH2:18][Br:19].[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:20][cH:21]1>>[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][Br:19])[cH:20][cH:21]1
0.313382
BrCCCCBr.CN(C(=O)OC(C)(C)C)c1ccc(O)cc1>>CN(C(=O)OC(C)(C)C)c1ccc(OCCCCBr)cc1
BrCCCCBr.CN(C(=O)OC(C)(C)C)c1ccc(O)cc1>>CN(C(=O)OC(C)(C)C)c1ccc(OCCCCBr)cc1
US06683201B2_grants
d3cc1f1f019d85dc770d006c52b44ba2e4ae1317f52e28186de68e59
Br[CH2:15][CH2:16][CH2:17][CH2:18][Br:19].[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:20][cH:21]1
[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][Br:19])[cH:20][cH:21]1
([C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-[c:4])>>(Br-[CH2;D2;+0:1]-[C:2]).([OH;D1;+0:3]-[c:4])
77cefa6f7285e1367b00e291ad0c233a215688d867a7713380b3385d
1
1
null
75
250,006
829,412
1,375,268
[C:1]1([CH2:7][CH2:8][C:9]([O:11][CH3:12])=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:13]1(O)[CH2:18][CH2:17]C[CH2:15][CH2:14]1.C1(N)CCCCC1.C(OC(C)C)(C)C>[Zn]>[C:1]1([CH2:7][CH2:8][C:9]([O:11][CH:12]2[CH2:17][CH2:18][CH2:13][CH2:14][CH2:15]2)=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
null
US08552204B2_0067
2,013
CC(C)OC(C)C.CO[C:2](=[O:1])[CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.NC1CCCCC1.[OH:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[Zn]>>[O:1]=[C:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1
0.491674
CC(C)OC(C)C.COC(=O)CCc1ccccc1.NC1CCCCC1.OC1CCCCC1.[Zn]>>O=C(CCc1ccccc1)OC1CCCCC1
CC(C)OC(C)C.COC(=O)CCc1ccccc1.NC1CCCCC1.OC1CCCCC1.[Zn]>>O=C(CCc1ccccc1)OC1CCCCC1
US08552204B2_0067grants
8a419db747fd05b8f4066408d04fc8ef7a0f730334c67d88c47872e9
CC(C)OC(C)C.CO[C:2](=[O:1])[CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.NC1CCCCC1.[OH:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[Zn]
[O:1]=[C:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1
([C:4]-[O;H0;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(C-O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[OH;D1;+0:5])
c1f4c807e3614fe47cd090c6e68b82a7d9ae32f9a7d33334666a7ce8
1
1
CC(C)OC(C)C.NC1CCCCC1.[Zn]
289
336,946
236,977
null
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[F:11])[C:5]([OH:7])=[O:6].S(=O)(=O)(O)O.[C:17](=O)([O-])O.[Na+]>CO>[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[F:11])[C:5]([O:7][CH3:17])=[O:6]
|f:2.3|
US20050059669A1_0362
2,005
O=C([O-])O.O=S(=O)(O)O.O[C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[c:10]([Br:11])[cH:12]1.[CH3:1][OH:2].[Na+]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[c:10]([Br:11])[cH:12]1
0.642906
CO.O=C(O)c1ccc(F)c(Br)c1.O=C([O-])O~[Na+].O=S(=O)(O)O>>COC(=O)c1ccc(F)c(Br)c1
CO.O=C(O)c1ccc(F)c(Br)c1.O=C([O-])O.O=S(=O)(O)O.[Na+]>>COC(=O)c1ccc(F)c(Br)c1
US20050059669A1_0362apps
fb0760d9781d748ce38ce8d8c4b82b558c9bf29b4260c467b33ef69c
O=C([O-])O.O=S(=O)(O)O.O[C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[c:10]([Br:11])[cH:12]1.[CH3:1][OH:2].[Na+]
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[c:10]([Br:11])[cH:12]1
([C;D1;H3:4]-[O;H0;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C;D1;H3:4]-[OH;D1;+0:5])
462ff262701550e8361ae350b730fe337624136bbbc825e08432a1b4
1
1
O=C([O-])O.O=S(=O)(O)O.[Na+]
33
112,513
423,024
720,411
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([N:15]2[C:19](=[O:20])[CH2:18][CH:17]([C:21]([OH:23])=[O:22])[CH2:16]2)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(=O)(=O)(O)O.Cl[CH2:30]Cl>CO>[CH3:30][O:22][C:21]([CH:17]1[CH2:18][C:19](=[O:20])[N:15]([C:12]2[CH:13]=[CH:14][C:9]([O:8][CH2:1][C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=3)=[CH:10][CH:11]=2)[CH2:16]1)=[O:23]
null
US07037935B2_0153
2,006
ClCCl.O=S(=O)(O)O.O[C:3](=[O:4])[CH:5]1[CH2:6][C:7](=[O:8])[N:9]([c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:24]1.[CH3:1][OH:2]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][C:7](=[O:8])[N:9]([c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:24]1
0.624634
CO.ClCCl.O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1.O=S(=O)(O)O>>COC(=O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
CO.ClCCl.O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1.O=S(=O)(O)O>>COC(=O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
US07037935B2_0153grants
e56f0b9d57033746f467698b1bb2e2214cf53a3c34dcb3b9e97b8e38
ClCCl.O=S(=O)(O)O.O[C:3](=[O:4])[CH:5]1[CH2:6][C:7](=[O:8])[N:9]([c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:24]1.[CH3:1][OH:2]
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][C:7](=[O:8])[N:9]([c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:24]1
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:5]-[C;D1;H3:4])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C;D1;H3:4]-[OH;D1;+0:5])
a6871142fd86a88cf89e8dce15586c0c2325bd32f2c5592778c4dcb1
1
1
ClCCl.O=S(=O)(O)O
17
64,869
271,876
461,061
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:6][C:5]=1[OH:16])([O-])=O>CO.[Pd]>[NH2:1][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:6][C:5]=1[OH:16]
null
US06005008_
1,999
CO.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]1[OH:14].[Pd]>>[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]1[OH:14]
0.927674
CO.O=[N+]([O-])c1ccc(-c2ccccc2)cc1O.[Pd]>>Nc1ccc(-c2ccccc2)cc1O
CO.O=[N+]([O-])c1ccc(-c2ccccc2)cc1O.[Pd]>>Nc1ccc(-c2ccccc2)cc1O
US06005008_grants
4e62c3b1a8f30a91191ef268f75c7792cc394a8c27a963a13c72e2ed
CO.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]1[OH:14].[Pd]
[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]1[OH:14]
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
1
1
CO.[Pd]
1
118,040
440,153
748,907
C1COCC1.[I:6][C:7]1[CH:13]=[C:12]([Br:14])[CH:11]=[CH:10][C:8]=1[NH2:9].[F:15][C:16]([F:27])([F:26])[C:17]1[CH:18]=[C:19]([N:23]=[C:24]=[O:25])[CH:20]=[CH:21][CH:22]=1>N1C=CC=CC=1>[I:6][C:7]1[CH:13]=[C:12]([Br:14])[CH:11]=[CH:10][C:8]=1[NH:9][C:24]([NH:23][C:19]1[CH:20]=[CH:21][CH:22]=[C:17]([C:16]([F:15])([F:26])[F:27])[CH:18]=1)=[O:25]
null
US07119120B2_0226
2,006
C1CCOC1.[NH2:14][c:15]1[cH:16][cH:17][c:18]([Br:19])[cH:20][c:21]1[I:22].[O:1]=[C:2]=[N:3][c:4]1[cH:5][cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13]1.c1ccncc1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13]1)[NH:14][c:15]1[cH:16][cH:17][c:18]([Br:19])[cH:20][c:21]1[I:22]
0.359805
C1CCOC1.Nc1ccc(Br)cc1I.O=C=Nc1cccc(C(F)(F)F)c1.c1ccncc1>>O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1I
C1CCOC1.Nc1ccc(Br)cc1I.O=C=Nc1cccc(C(F)(F)F)c1.c1ccncc1>>O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1I
US07119120B2_0226grants
d96cf233c2921ea1baff9fb51af2e63ffd95b5b0a30e91b42509177c
C1CCOC1.[NH2:14][c:15]1[cH:16][cH:17][c:18]([Br:19])[cH:20][c:21]1[I:22].[O:1]=[C:2]=[N:3][c:4]1[cH:5][cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13]1.c1ccncc1
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13]1)[NH:14][c:15]1[cH:16][cH:17][c:18]([Br:19])[cH:20][c:21]1[I:22]
([O;D1;H0:3]=[C;H0;D3;+0:4](-[NH;D2;+0:1]-[c:2])-[NH;D2;+0:5]-[c:6])>>([NH2;D1;+0:1]-[c:2]).([O;D1;H0:3]=[C;H0;D2;+0:4]=[N;H0;D2;+0:5]-[c:6])
4d90b1ac49508f74aabfac353704d5bbc882a25d954d104bc3fe56df
0.5
2
C1CCOC1.c1ccncc1
473
268,411
882,671
1,469,870
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[N:12]=[C:11]3[N:13]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([O:25]CC)=[O:24])[CH2:14][CH2:15][CH2:16][C:10]3=[N:9][C:8]=2[C:28]2[CH:33]=[CH:32][C:31]([CH3:34])=[CH:30][CH:29]=2)=[CH:3][CH:2]=1.[Li+].[OH-]>C1COCC1.O>[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[N:12]=[C:11]3[N:13]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([OH:25])=[O:24])[CH2:14][CH2:15][CH2:16][C:10]3=[N:9][C:8]=2[C:28]2[CH:29]=[CH:30][C:31]([CH3:34])=[CH:32][CH:33]=2)=[CH:3][CH:2]=1
|f:1.2|
US08754085B2_0691
2,014
C1CCOC1.CC[O:27][C:25]([CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][N:18]1[c:9]2[c:8]([n:7][c:6](-[c:5]3[cH:4][cH:3][c:2]([CH3:1])[cH:32][cH:31]3)[c:11](-[c:12]3[cH:13][cH:14][n:15][cH:16][cH:17]3)[n:10]2)[CH2:30][CH2:29][CH2:28]1)=[O:26].O.[Li+].[OH-]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7][c:8]3[c:9]([n:10][c:11]2-[c:12]2[cH:13][cH:14][n:15][cH:16][cH:17]2)[N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27])[CH2:28][CH2:29][CH2:30]3)[cH:31][cH:32]1
0.857654
C1CCOC1.CCOC(=O)CCCCCCN1CCCc2nc(-c3ccc(C)cc3)c(-c3ccncc3)nc21.O.[Li+]~[OH-]>>Cc1ccc(-c2nc3c(nc2-c2ccncc2)N(CCCCCCC(=O)O)CCC3)cc1
C1CCOC1.CCOC(=O)CCCCCCN1CCCc2nc(-c3ccc(C)cc3)c(-c3ccncc3)nc21.O.[Li+].[OH-]>>Cc1ccc(-c2nc3c(nc2-c2ccncc2)N(CCCCCCC(=O)O)CCC3)cc1
US08754085B2_0691grants
09408c9c528480328f64c9298bb9d4c820fa35f33961dffcbc73a50b
C1CCOC1.CC[O:27][C:25]([CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][N:18]1[c:9]2[c:8]([n:7][c:6](-[c:5]3[cH:4][cH:3][c:2]([CH3:1])[cH:32][cH:31]3)[c:11](-[c:12]3[cH:13][cH:14][n:15][cH:16][cH:17]3)[n:10]2)[CH2:30][CH2:29][CH2:28]1)=[O:26].O.[Li+].[OH-]
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7][c:8]3[c:9]([n:10][c:11]2-[c:12]2[cH:13][cH:14][n:15][cH:16][cH:17]2)[N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27])[CH2:28][CH2:29][CH2:30]3)[cH:31][cH:32]1
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
9a4c5ceadb3b4a753bb8f03491f138cd875a84f1d327e818237f90df
1
1
C1CCOC1.O.[Li+].[OH-]
7
62,711
264,223
447,080
[CH3:1][C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][CH:5]=[CH:4][C:3]=1[OH:11].[Cl:12]N1C(=O)CCC1=O.FC(F)(F)S(O)(=O)=O>C(#N)C.C(OCC)C>[Cl:12][C:6]1[CH:5]=[CH:4][C:3]([OH:11])=[C:2]([CH3:1])[C:7]=1[N+:8]([O-:10])=[O:9]
null
US05952362_
1,999
CC#N.CCOCC.O=C1CCC(=O)N1[Cl:8].O=S(=O)(O)C(F)(F)F.[CH3:1][c:2]1[c:3]([OH:4])[cH:5][cH:6][cH:7][c:9]1[N+:10](=[O:11])[O-:12]>>[CH3:1][c:2]1[c:3]([OH:4])[cH:5][cH:6][c:7]([Cl:8])[c:9]1[N+:10](=[O:11])[O-:12]
0.958721
CC#N.CCOCC.Cc1c(O)cccc1[N+](=O)[O-].O=C1CCC(=O)N1Cl.O=S(=O)(O)C(F)(F)F>>Cc1c(O)ccc(Cl)c1[N+](=O)[O-]
CC#N.CCOCC.Cc1c(O)cccc1[N+](=O)[O-].O=C1CCC(=O)N1Cl.O=S(=O)(O)C(F)(F)F>>Cc1c(O)ccc(Cl)c1[N+](=O)[O-]
US05952362_grants
9f0b18abdc2c2767c5e21c0530d767a9b84a8caf8546aaa71701ee7e
CC#N.CCOCC.O=C1CCC(=O)N1[Cl:8].O=S(=O)(O)C(F)(F)F.[CH3:1][c:2]1[c:3]([OH:4])[cH:5][cH:6][cH:7][c:9]1[N+:10](=[O:11])[O-:12]
[CH3:1][c:2]1[c:3]([OH:4])[cH:5][cH:6][c:7]([Cl:8])[c:9]1[N+:10](=[O:11])[O-:12]
([Cl;H0;D1;+0:1]-[c;H0;D3;+0:3](:[c:2]):[c:4])>>(O=C1-C-C-C(=O)-N-1-[Cl;H0;D1;+0:1]).([c:2]:[cH;D2;+0:3]:[c:4])
5d359b7d98bebc6ce399b1d7a9963c1021f8786abc95d14d5129c6d5
1
1
CC#N.CCOCC.O=S(=O)(O)C(F)(F)F
121
49,505
215,068
349,575
C([Li])CCC.[F:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[S:14][CH:15]=[CH:16][C:17]=2[C:18]2[CH:23]=[CH:22][C:21]([S:24]([CH3:27])(=[O:26])=[O:25])=[CH:20][CH:19]=2)=[CH:9][CH:8]=1.CN(C)[CH:30]=[O:31].Cl>CCCCCC.O1CCCC1>[F:6][C:7]1[CH:8]=[CH:9][C:10]([C:13]2[S:14][C:15]([CH:30]=[O:31])=[CH:16][C:17]=2[C:18]2[CH:23]=[CH:22][C:21]([S:24]([CH3:27])(=[O:26])=[O:25])=[CH:20][CH:19]=2)=[CH:11][CH:12]=1
null
US05571810_
1,996
C1CCOC1.CCCCCC.CN(C)[CH:12]=[O:13].Cl.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[cH:10][cH:11][s:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[cH:23][cH:24]1.[Li]CCCC>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[cH:10][c:11]([CH:12]=[O:13])[s:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[cH:23][cH:24]1
0.52163
C1CCOC1.CCCCCC.CN(C)C=O.CS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1.Cl.[Li]CCCC>>CS(=O)(=O)c1ccc(-c2cc(C=O)sc2-c2ccc(F)cc2)cc1
C1CCOC1.CCCCCC.CN(C)C=O.CS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1.Cl.[Li]CCCC>>CS(=O)(=O)c1ccc(-c2cc(C=O)sc2-c2ccc(F)cc2)cc1
US05571810_grants
d080d86d20e75de93cb8220ef62f90e8f49367ca42a3e350c8e9e78a
C1CCOC1.CCCCCC.CN(C)[CH:12]=[O:13].Cl.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[cH:10][cH:11][s:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[cH:23][cH:24]1.[Li]CCCC
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[cH:10][c:11]([CH:12]=[O:13])[s:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[cH:23][cH:24]1
([#16;a:3]:[c;H0;D3;+0:4](:[c:5])-[CH;D2;+0:1]=[O;D1;H0:2])>>(C-N(-C)-[CH;D2;+0:1]=[O;D1;H0:2]).([#16;a:3]:[cH;D2;+0:4]:[c:5])
8e8f2a225409515972e1ced213263a2ea9b28018ddc9b83ff414317c
1
1
C1CCOC1.CCCCCC.Cl.[Li]CCCC
617
368,334
737,369
null
[CH3:1][O:2][C:3]1[N:8]=[C:7]([C:9]([O:11]C)=[O:10])[C:6]([NH:13][C:14]([C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[C:19]([CH2:26][N:27]3[CH:31]=[CH:30][N:29]=[N:28]3)=[CH:18][CH:17]=2)=[O:15])=[N:5][C:4]=1[NH:32][CH2:33][CH:34]1[CH2:39][CH2:38][O:37][CH2:36][CH2:35]1.[OH-].[Li+].C(O)(=O)C>CO.O>[CH3:1][O:2][C:3]1[N:8]=[C:7]([C:9]([OH:11])=[O:10])[C:6]([NH:13][C:14]([C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[C:19]([CH2:26][N:27]3[CH:31]=[CH:30][N:29]=[N:28]3)=[CH:18][CH:17]=2)=[O:15])=[N:5][C:4]=1[NH:32][CH2:33][CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1
|f:1.2|
US20090181968A1_0364
2,009
CC(=O)O.CO.C[O:8][C:6]([c:5]1[n:4][c:3]([O:2][CH3:1])[c:30]([NH:31][CH2:32][CH:33]2[CH2:34][CH2:35][O:36][CH2:37][CH2:38]2)[n:29][c:9]1[NH:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][c:16]([CH2:17][n:18]2[cH:19][cH:20][n:21][n:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12)=[O:7].O.[Li+].[OH-]>>[CH3:1][O:2][c:3]1[n:4][c:5]([C:6](=[O:7])[OH:8])[c:9]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH2:17][n:18]3[cH:19][cH:20][n:21][n:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[n:29][c:30]1[NH:31][CH2:32][CH:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1
0.883569
CC(=O)O.CO.COC(=O)c1nc(OC)c(NCC2CCOCC2)nc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.O.[Li+]~[OH-]>>COc1nc(C(=O)O)c(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)nc1NCC1CCOCC1
CC(=O)O.CO.COC(=O)c1nc(OC)c(NCC2CCOCC2)nc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.O.[Li+].[OH-]>>COc1nc(C(=O)O)c(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)nc1NCC1CCOCC1
US20090181968A1_0364apps
dcb8596ecef225a25dce922819ac298151edc6df246feaafd7d94f84
CC(=O)O.CO.C[O:8][C:6]([c:5]1[n:4][c:3]([O:2][CH3:1])[c:30]([NH:31][CH2:32][CH:33]2[CH2:34][CH2:35][O:36][CH2:37][CH2:38]2)[n:29][c:9]1[NH:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][c:16]([CH2:17][n:18]2[cH:19][cH:20][n:21][n:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12)=[O:7].O.[Li+].[OH-]
[CH3:1][O:2][c:3]1[n:4][c:5]([C:6](=[O:7])[OH:8])[c:9]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH2:17][n:18]3[cH:19][cH:20][n:21][n:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[n:29][c:30]1[NH:31][CH2:32][CH:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4])>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4])
b499e0b68ab8cc89df665c73ba592c6e17427fbd5b75a0a04b8fb5db
1
1
CC(=O)O.CO.O.[Li+].[OH-]
152
346,848
422,021
null
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[CH2:14][CH2:13][CH2:12]2)(=[O:10])=[O:9])=[CH:4][C:3]=1[N:21]1[C:30](=[O:31])[C:29]2[C:28]([C:32]([OH:34])=O)=[CH:27][CH:26]=[CH:25][C:24]=2[NH:23][C:22]1=[O:35].Cl.C[N:38](C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C.C(=O)([O-])[O-].[NH4+].[NH4+]>CN(C=O)C.O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[CH2:14][CH2:13][CH2:12]2)(=[O:9])=[O:10])=[CH:4][C:3]=1[N:21]1[C:30](=[O:31])[C:29]2[C:28]([C:32]([NH2:38])=[O:34])=[CH:27][CH:26]=[CH:25][C:24]=2[NH:23][C:22]1=[O:35]
|f:1.2,5.6.7|
US20070010537A1_2952
2,007
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O.O=C([O-])[O-].O[C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[nH:9][c:10](=[O:11])[n:12](-[c:13]3[cH:14][c:15]([S:16](=[O:17])(=[O:18])[N:19]4[CH2:20][CH2:21][CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]54)[cH:29][cH:30][c:31]3[Cl:32])[c:33](=[O:34])[c:35]12.On1nnc2ccccc21.[NH4+:1].[NH4+]>>[NH2:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[nH:9][c:10](=[O:11])[n:12](-[c:13]3[cH:14][c:15]([S:16](=[O:17])(=[O:18])[N:19]4[CH2:20][CH2:21][CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]54)[cH:29][cH:30][c:31]3[Cl:32])[c:33](=[O:34])[c:35]12
0.28305
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C~Cl.CN(C)C=O.O.O=C(O)c1cccc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c12.O=C([O-])[O-]~[NH4+]~[NH4+].On1nnc2ccccc21>>NC(=O)c1cccc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c12
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O.O=C(O)c1cccc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c12.O=C([O-])[O-].On1nnc2ccccc21.[NH4+].[NH4+]>>NC(=O)c1cccc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c12
US20070010537A1_2952apps
0d7b2625c1007282799dd458cac4d82cae451d02ffe1b6a676814596
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O.O=C([O-])[O-].O[C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[nH:9][c:10](=[O:11])[n:12](-[c:13]3[cH:14][c:15]([S:16](=[O:17])(=[O:18])[N:19]4[CH2:20][CH2:21][CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]54)[cH:29][cH:30][c:31]3[Cl:32])[c:33](=[O:34])[c:35]12.On1nnc2ccccc21.[NH4+:1].[NH4+]
[NH2:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[nH:9][c:10](=[O:11])[n:12](-[c:13]3[cH:14][c:15]([S:16](=[O:17])(=[O:18])[N:19]4[CH2:20][CH2:21][CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]54)[cH:29][cH:30][c:31]3[Cl:32])[c:33](=[O:34])[c:35]12
([NH2;D1;+0:4]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH4+;D0:4])
c421fff6c68457e5a1b10b45c638efef86b6256b0ea7f128ff2943ad
1
1
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O.O=C([O-])[O-].On1nnc2ccccc21.[NH4+]
358
215,545
725,783
1,195,759
C(N(CC)CC)C.[Cl:8][C:9]1[CH:10]=[C:11]([CH2:16][C:17]([O:19][CH3:20])=[O:18])[CH:12]=[CH:13][C:14]=1[OH:15].[F:21][C:22]([F:35])([F:34])[S:23](O[S:23]([C:22]([F:35])([F:34])[F:21])(=[O:25])=[O:24])(=[O:25])=[O:24]>C(Cl)Cl>[Cl:8][C:9]1[CH:10]=[C:11]([CH2:16][C:17]([O:19][CH3:20])=[O:18])[CH:12]=[CH:13][C:14]=1[O:15][S:23]([C:22]([F:35])([F:34])[F:21])(=[O:25])=[O:24]
null
US08188092B2_0251
2,012
CCN(CC)CC.ClCCl.O=S(=O)(O[S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])C(F)(F)F.[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([OH:10])[c:18]([Cl:19])[cH:20]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]([Cl:19])[cH:20]1
0.146041
CCN(CC)CC.COC(=O)Cc1ccc(O)c(Cl)c1.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>>COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1
CCN(CC)CC.COC(=O)Cc1ccc(O)c(Cl)c1.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>>COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1
US08188092B2_0251grants
f3328855b0952c6587fe14e44559bc6f89b058da721e286411f5ee7d
CCN(CC)CC.ClCCl.O=S(=O)(O[S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])C(F)(F)F.[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([OH:10])[c:18]([Cl:19])[cH:20]1
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]([Cl:19])[cH:20]1
([F;D1;H0:5]-[C:4](-[F;D1;H0:6])(-[F;D1;H0:7])-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[O;H0;D2;+0:8]-[c:9])>>(F-C(-F)(-F)-S(=O)(=O)-O-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[C:4](-[F;D1;H0:5])(-[F;D1;H0:6])-[F;D1;H0:7]).([OH;D1;+0:8]-[c:9])
99db519e153161d9e1a0b089bc1dd8038bb89ab236fbb46bac2ac4f7
1
1
CCN(CC)CC.ClCCl
731
118,656
442,086
751,907
Br[C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][CH:3]=1.[CH3:9][O:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1B(O)O.[Br-].C([NH3+])CCC.C([O-])([O-])=O.[Na+].[Na+]>C([O-])(=O)C.C([O-])(=O)C.[Pd+2].C(OCC)C.O>[CH3:9][O:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][CH:3]=1
|f:2.3,4.5.6,7.8.9|
US07129215B2_0083
2,006
Br[c:9]1[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]1.CC(=O)[O-].CC(=O)[O-].CCCC[NH3+].CCOCC.O.O=C([O-])[O-].OB(O)[c:8]1[c:3]([O:2][CH3:1])[cH:4][cH:5][cH:6][cH:7]1.[Br-].[Na+].[Na+].[Pd+2]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]1
0.830957
CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CCCC[NH3+]~[Br-].CCOCC.COc1ccccc1B(O)O.Cc1ccc(Br)cc1.O.O=C([O-])[O-]~[Na+]~[Na+]>>COc1ccccc1-c1ccc(C)cc1
CC(=O)[O-].CC(=O)[O-].CCCC[NH3+].CCOCC.COc1ccccc1B(O)O.Cc1ccc(Br)cc1.O.O=C([O-])[O-].[Br-].[Na+].[Na+].[Pd+2]>>COc1ccccc1-c1ccc(C)cc1
US07129215B2_0083grants
d97dc6a045015469eb43ec87bb55230ebaf3ad09fd71d5c467ef928e
Br[c:9]1[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]1.CC(=O)[O-].CC(=O)[O-].CCCC[NH3+].CCOCC.O.O=C([O-])[O-].OB(O)[c:8]1[c:3]([O:2][CH3:1])[cH:4][cH:5][cH:6][cH:7]1.[Br-].[Na+].[Na+].[Pd+2]
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]1
([c:2]:[c;H0;D3;+0:1](:[c:3])-[c;H0;D3;+0:4](:[c:5]):[c:6])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[c;H0;D3;+0:4](:[c:5]):[c:6])
55251936defc26e51bebc585e4f1cda158e89f53686fa5d9c09591aa
0.5
2
CC(=O)[O-].CC(=O)[O-].CCCC[NH3+].CCOCC.O.O=C([O-])[O-].[Br-].[Na+].[Na+].[Pd+2]
837
343,396
366,456
null
C([O:8][C:9]1[CH:10]=[C:11]([CH2:18][C:19]([O:21][CH3:22])=[O:20])[CH:12]=[CH:13][C:14]=1[O:15][CH2:16][CH3:17])C1C=CC=CC=1>[C].[Pd].O1CCCC1>[CH2:16]([O:15][C:14]1[CH:13]=[CH:12][C:11]([CH2:18][C:19]([O:21][CH3:22])=[O:20])=[CH:10][C:9]=1[OH:8])[CH3:17]
|f:1.2|
US20060148858A1_0801
2,006
C1CCOC1.[C].[Pd].c1ccc(C[O:15][c:14]2[c:4]([O:3][CH2:2][CH3:1])[cH:5][cH:6][c:7]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13]2)cc1>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13][c:14]1[OH:15]
0.984401
C1CCOC1.CCOc1ccc(CC(=O)OC)cc1OCc1ccccc1.[C]~[Pd]>>CCOc1ccc(CC(=O)OC)cc1O
C1CCOC1.CCOc1ccc(CC(=O)OC)cc1OCc1ccccc1.[C].[Pd]>>CCOc1ccc(CC(=O)OC)cc1O
US20060148858A1_0801apps
753220bb813785f54dfcce9a89e12ea20f31bfc9e05e0cfa386966d5
C1CCOC1.[C].[Pd].c1ccc(C[O:15][c:14]2[c:4]([O:3][CH2:2][CH3:1])[cH:5][cH:6][c:7]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13]2)cc1
[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:13][c:14]1[OH:15]
([OH;D1;+0:2]-[c:1])>>([c:1]-[O;H0;D2;+0:2]-C-c1:c:c:c:c:c:1)
5aae93a61569145ed18632d801932cdc99b7a496825e1c5156904263
1
1
C1CCOC1.[C].[Pd]
23
99,654
383,770
656,335
[F:1][C:2]([F:17])([F:16])[C:3]1[NH:4][C:5]2[C:10]([C:11]=1[CH3:12])=[CH:9][CH:8]=[CH:7][C:6]=2[C:13]([OH:15])=O.[CH3:18][C:19]1[CH:25]=[CH:24][C:22]([NH2:23])=[CH:21][C:20]=1[C:26]1[CH:27]=[N:28][CH:29]=[N:30][CH:31]=1.Cl.C(N=C=NCCCN(C)C)C>ClCCl.CN(C)C1C=CN=CC=1>[CH3:18][C:19]1[CH:25]=[CH:24][C:22]([NH:23][C:13]([C:6]2[CH:7]=[CH:8][CH:9]=[C:10]3[C:5]=2[NH:4][C:3]([C:2]([F:1])([F:17])[F:16])=[C:11]3[CH3:12])=[O:15])=[CH:21][C:20]=1[C:26]1[CH:31]=[N:30][CH:29]=[N:28][CH:27]=1
|f:2.3|
US06770667B1_
2,004
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.O[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]([CH3:15])[c:16]([C:17]([F:18])([F:19])[F:20])[nH:21][c:22]12.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:23][c:24]1-[c:25]1[cH:26][n:27][cH:28][n:29][cH:30]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]([CH3:15])[c:16]([C:17]([F:18])([F:19])[F:20])[nH:21][c:22]23)[cH:23][c:24]1-[c:25]1[cH:26][n:27][cH:28][n:29][cH:30]1
0.262971
CCN=C=NCCCN(C)C~Cl.CN(C)c1ccncc1.Cc1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12.Cc1ccc(N)cc1-c1cncnc1.ClCCl>>Cc1ccc(NC(=O)c2cccc3c(C)c(C(F)(F)F)[nH]c23)cc1-c1cncnc1
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cc1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12.Cc1ccc(N)cc1-c1cncnc1.Cl.ClCCl>>Cc1ccc(NC(=O)c2cccc3c(C)c(C(F)(F)F)[nH]c23)cc1-c1cncnc1
US06770667B1_grants
71f3d5dce5cd06a3eac455fa1850dde31ae23aa98a3833752610f752
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.O[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]([CH3:15])[c:16]([C:17]([F:18])([F:19])[F:20])[nH:21][c:22]12.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:23][c:24]1-[c:25]1[cH:26][n:27][cH:28][n:29][cH:30]1
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]([CH3:15])[c:16]([C:17]([F:18])([F:19])[F:20])[nH:21][c:22]23)[cH:23][c:24]1-[c:25]1[cH:26][n:27][cH:28][n:29][cH:30]1
([#7;a:5]:[c:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:6]-[c:7])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[c:4]:[#7;a:5]).([NH2;D1;+0:6]-[c:7])
b44b8a831effdeda480a5986b9b935fe79a8ae2e1dad4c1a75d399f7
1
1
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl
739
351,589
497,457
null
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]#[N:11])=[CH:6][N:5]=1)(=[O:3])[CH3:2].[C:12](OCC)(=[O:18])[C:13]([O:15][CH2:16][CH3:17])=[O:14]>>[C:10]([C:7]1[CH:8]=[CH:9][C:4]([C:1](=[O:3])[CH2:2][C:12](=[O:18])[C:13]([O:15][CH2:16][CH3:17])=[O:14])=[N:5][CH:6]=1)#[N:11]
null
US20070219210A1_0636
2,007
CCO[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])=[O:7].[CH3:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][n:18]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][n:18]1
0.674539
CC(=O)c1ccc(C#N)cn1.CCOC(=O)C(=O)OCC>>CCOC(=O)C(=O)CC(=O)c1ccc(C#N)cn1
CC(=O)c1ccc(C#N)cn1.CCOC(=O)C(=O)OCC>>CCOC(=O)C(=O)CC(=O)c1ccc(C#N)cn1
US20070219210A1_0636apps
e70c87be61ace09de9315e8567d3ca0ebbd5b0444a1077477ee505b0
CCO[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])=[O:7].[CH3:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][n:18]1
[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][n:18]1
([C;D1;H3:7]-[C:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])>>(C-C-O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]).([CH3;D1;+0:8]-[C:9]=[O;D1;H0:10])
24b4d2d196f69c9e433294511939918885ee4737b674e3da0c65459a
1
1
null
526
187,171
646,669
1,070,047
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:11]3[S:12][C:13]([C:15]([N:17]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=4[Cl:25])[CH3:18])=[O:16])=[CH:14][C:10]=3[CH2:9][CH2:8][O:7][C:6]=2[CH:26]=1.[C:27]([C:30]1[CH:31]=[C:32](B(O)O)[CH:33]=[CH:34][CH:35]=1)([OH:29])=[O:28]>>[Cl:25][C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=1[N:17]([CH3:18])[C:15]([C:13]1[S:12][C:11]2[C:5]3[CH:4]=[CH:3][C:2]([C:34]4[CH:35]=[C:30]([CH:31]=[CH:32][CH:33]=4)[C:27]([OH:29])=[O:28])=[CH:26][C:6]=3[O:7][CH2:8][CH2:9][C:10]=2[CH:14]=1)=[O:16]
null
US07928248B2_0376
2,011
Br[c:13]1[cH:12][cH:11][c:10]2[c:24]([cH:23]1)[O:25][CH2:26][CH2:27][c:7]1[cH:6][c:5]([C:3]([N:2]([CH3:1])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[Cl:34])=[O:4])[s:9][c:8]1-2.OB(O)[c:14]1[cH:15][cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([s:9]1)-[c:10]1[cH:11][cH:12][c:13](-[c:14]3[cH:15][cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22]3)[cH:23][c:24]1[O:25][CH2:26][CH2:27]2)[c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[Cl:34]
0.945562
CN(C(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)c1ccccc1Cl.O=C(O)c1cccc(B(O)O)c1>>CN(C(=O)c1cc2c(s1)-c1ccc(-c3cccc(C(=O)O)c3)cc1OCC2)c1ccccc1Cl
CN(C(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)c1ccccc1Cl.O=C(O)c1cccc(B(O)O)c1>>CN(C(=O)c1cc2c(s1)-c1ccc(-c3cccc(C(=O)O)c3)cc1OCC2)c1ccccc1Cl
US07928248B2_0376grants
4d24eccb3c29820aeef02f646743645bd2ea14bda7902fc6391f24c7
Br[c:13]1[cH:12][cH:11][c:10]2[c:24]([cH:23]1)[O:25][CH2:26][CH2:27][c:7]1[cH:6][c:5]([C:3]([N:2]([CH3:1])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[Cl:34])=[O:4])[s:9][c:8]1-2.OB(O)[c:14]1[cH:15][cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22]1
[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([s:9]1)-[c:10]1[cH:11][cH:12][c:13](-[c:14]3[cH:15][cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22]3)[cH:23][c:24]1[O:25][CH2:26][CH2:27]2)[c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[Cl:34]
([c:2]:[c;H0;D3;+0:1](:[c:3])-[c;H0;D3;+0:4](:[c:5]):[c:6])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[c;H0;D3;+0:4](:[c:5]):[c:6])
55251936defc26e51bebc585e4f1cda158e89f53686fa5d9c09591aa
0.5
2
null
837
392,523
1,204,202
null
[C:1]([O:5][C:6]([NH:8][CH:9]([CH2:13][C:14]1[S:15][CH:16]=[CH:17][C:18]=1[F:19])[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.N1C(C)=CC=CC=1C.[Cl-].[CH3:53][O:54][C:55]([C@@:57]1([NH3+:66])[CH2:59][C@@H:58]1[C:60]1[CH:65]=[CH:64][CH:63]=[CH:62][CH:61]=1)=[O:56]>CN(C=O)C.CCOC(C)=O.Cl>[C:1]([O:5][C:6]([NH:8][CH:9]([CH2:13][C:14]1[S:15][CH:16]=[CH:17][C:18]=1[F:19])[C:10]([NH:66][C@:57]1([C:55]([O:54][CH3:53])=[O:56])[CH2:59][C@@H:58]1[C:60]1[CH:65]=[CH:64][CH:63]=[CH:62][CH:61]=1)=[O:12])=[O:7])([CH3:2])([CH3:3])[CH3:4]
|f:1.2,4.5|
US20120101053A1_0113
2,012
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cc1cccc(C)n1.Cl.F[P-](F)(F)(F)(F)F.O[C:7](=[O:8])[CH:9]([CH2:10][c:11]1[s:12][cH:13][cH:14][c:15]1[F:16])[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24].[CH3:1][O:2][C:3](=[O:4])[C@@:5]1([NH3+:6])[CH2:25][C@@H:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl-]>>[CH3:1][O:2][C:3](=[O:4])[C@@:5]1([NH:6][C:7](=[O:8])[CH:9]([CH2:10][c:11]2[s:12][cH:13][cH:14][c:15]2[F:16])[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][C@@H:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1
0.400676
CC(C)(C)OC(=O)NC(Cc1sccc1F)C(=O)O.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.COC(=O)[C@@]1([NH3+])C[C@@H]1c1ccccc1~[Cl-].Cc1cccc(C)n1.Cl>>COC(=O)[C@@]1(NC(=O)C(Cc2sccc2F)NC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1
CC(C)(C)OC(=O)NC(Cc1sccc1F)C(=O)O.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.COC(=O)[C@@]1([NH3+])C[C@@H]1c1ccccc1.Cc1cccc(C)n1.Cl.F[P-](F)(F)(F)(F)F.[Cl-]>>COC(=O)[C@@]1(NC(=O)C(Cc2sccc2F)NC(=O)OC(C)(C)C)C[C@@H]1c1ccccc1
US20120101053A1_0113apps
9d0e504d1cfd9103b418a0f4d18b1f4ba193b8133d6b7dfaff90317a
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cc1cccc(C)n1.Cl.F[P-](F)(F)(F)(F)F.O[C:7](=[O:8])[CH:9]([CH2:10][c:11]1[s:12][cH:13][cH:14][c:15]1[F:16])[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24].[CH3:1][O:2][C:3](=[O:4])[C@@:5]1([NH3+:6])[CH2:25][C@@H:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl-]
[CH3:1][O:2][C:3](=[O:4])[C@@:5]1([NH:6][C:7](=[O:8])[CH:9]([CH2:10][c:11]2[s:12][cH:13][cH:14][c:15]2[F:16])[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][C@@H:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:9]-[C:8]-[C:6](=[O;D1;H0:7])-[#8:5]-[C;D1;H3:4])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C;D1;H3:4]-[#8:5]-[C:6](=[O;D1;H0:7])-[C:8]-[NH3+;D1:9])
d902def43cc99d31140c9ddd32b2c934b92d7aa1b24f69887a6b7a98
1
1
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cc1cccc(C)n1.Cl.F[P-](F)(F)(F)(F)F.[Cl-]
129
422,330
1,776,952
null
[CH:1]1([CH2:4][O:5][C:6]2[N:11]=[C:10]([C:12]([NH:14][C:15]3([CH2:19][C:20]([O:22]C)=[O:21])[CH2:18][S:17][CH2:16]3)=[O:13])[CH:9]=[CH:8][C:7]=2[C:24]2([F:28])[CH2:27][O:26][CH2:25]2)[CH2:3][CH2:2]1.O.[OH-].[Li+]>>[CH:1]1([CH2:4][O:5][C:6]2[N:11]=[C:10]([C:12]([NH:14][C:15]3([CH2:19][C:20]([OH:22])=[O:21])[CH2:18][S:17][CH2:16]3)=[O:13])[CH:9]=[CH:8][C:7]=2[C:24]2([F:28])[CH2:25][O:26][CH2:27]2)[CH2:3][CH2:2]1
|f:1.2.3|
US20150307452A1_0656
2,015
C[O:3][C:2](=[O:1])[CH2:4][C:5]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([C:13]3([F:14])[CH2:15][O:16][CH2:17]3)[c:18]([O:19][CH2:20][CH:21]3[CH2:22][CH2:23]3)[n:24]2)[CH2:25][S:26][CH2:27]1.O.[Li+].[OH-]>>[O:1]=[C:2]([OH:3])[CH2:4][C:5]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([C:13]3([F:14])[CH2:15][O:16][CH2:17]3)[c:18]([O:19][CH2:20][CH:21]3[CH2:22][CH2:23]3)[n:24]2)[CH2:25][S:26][CH2:27]1
0.694605
COC(=O)CC1(NC(=O)c2ccc(C3(F)COC3)c(OCC3CC3)n2)CSC1.O~[Li+]~[OH-]>>O=C(O)CC1(NC(=O)c2ccc(C3(F)COC3)c(OCC3CC3)n2)CSC1
COC(=O)CC1(NC(=O)c2ccc(C3(F)COC3)c(OCC3CC3)n2)CSC1.O.[Li+].[OH-]>>O=C(O)CC1(NC(=O)c2ccc(C3(F)COC3)c(OCC3CC3)n2)CSC1
US20150307452A1_0656apps
c5e1aa862dbb0d4b3931f53f1cd8d10f286081abeddebb7e8c29c68c
C[O:3][C:2](=[O:1])[CH2:4][C:5]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([C:13]3([F:14])[CH2:15][O:16][CH2:17]3)[c:18]([O:19][CH2:20][CH:21]3[CH2:22][CH2:23]3)[n:24]2)[CH2:25][S:26][CH2:27]1.O.[Li+].[OH-]
[O:1]=[C:2]([OH:3])[CH2:4][C:5]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([C:13]3([F:14])[CH2:15][O:16][CH2:17]3)[c:18]([O:19][CH2:20][CH:21]3[CH2:22][CH2:23]3)[n:24]2)[CH2:25][S:26][CH2:27]1
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
0a02d2d47df007d05d29f7b852c5bfe9dcbd7a32224d027cc636bd27
1
1
O.[Li+].[OH-]
88
65,453
274,061
464,654
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][CH:3]=1.[N+:9]([O-])([OH:11])=[O:10].S(=O)(=O)(O)O>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=1
null
US06020379_
2,000
O=S(=O)(O)O.O[N+:9](=[O:10])[O-:11].[CH3:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][cH:8]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][c:8]1[N+:9](=[O:10])[O-:11]
0.590719
Cc1ccc(F)cc1.O=S(=O)(O)O.O=[N+]([O-])O>>Cc1ccc(F)cc1[N+](=O)[O-]
Cc1ccc(F)cc1.O=S(=O)(O)O.O=[N+]([O-])O>>Cc1ccc(F)cc1[N+](=O)[O-]
US06020379_grants
e73a0b1b37f625f1c1a28781cda37ee2cba48b232c61e72109df6b26
O=S(=O)(O)O.O[N+:9](=[O:10])[O-:11].[CH3:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][cH:8]1
[CH3:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][c:8]1[N+:9](=[O:10])[O-:11]
([O;-;D1;H0:2]-[N+;H0;D3:1](=[O;D1;H0:3])-[c;H0;D3;+0:5](:[c:4]):[c:6])>>(O-[N+;H0;D3:1](-[O;-;D1;H0:2])=[O;D1;H0:3]).([c:4]:[cH;D2;+0:5]:[c:6])
c25d51e5af868cef93abbb502e1d42ba1564ccc8abe5e0e442b85ea3
1
1
O=S(=O)(O)O
21
105,124
400,869
684,983
[NH:1]1[C:5]([C:6]2[CH:7]=[C:8]3[C:12](=[CH:13][CH:14]=2)[NH:11][N:10]=[C:9]3[C:15]2[CH:16]=[C:17]([CH:32]=[CH:33][CH:34]=2)[O:18][CH2:19][CH2:20][NH:21]C(OCC2C=CC=CC=2)=O)=[N:4][CH:3]=[N:2]1.C(O)=O>[Pd].CO>[NH:1]1[C:5]([C:6]2[CH:7]=[C:8]3[C:12](=[CH:13][CH:14]=2)[NH:11][N:10]=[C:9]3[C:15]2[CH:16]=[C:17]([CH:32]=[CH:33][CH:34]=2)[O:18][CH2:19][CH2:20][NH2:21])=[N:4][CH:3]=[N:2]1
null
US06897231B2_0801
2,005
CO.O=C(OCc1ccccc1)[NH:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9](-[c:10]2[n:11][nH:12][c:13]3[cH:14][cH:15][c:16](-[c:17]4[n:18][cH:19][n:20][nH:21]4)[cH:22][c:23]23)[cH:24]1.O=CO.[Pd]>>[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9](-[c:10]2[n:11][nH:12][c:13]3[cH:14][cH:15][c:16](-[c:17]4[n:18][cH:19][n:20][nH:21]4)[cH:22][c:23]23)[cH:24]1
0.969396
CO.O=C(NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)OCc1ccccc1.O=CO.[Pd]>>NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
CO.O=C(NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)OCc1ccccc1.O=CO.[Pd]>>NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
US06897231B2_0801grants
8fca0258e97cce412ab9c143e03605b34aca01e5d07073bbe82ede0f
CO.O=C(OCc1ccccc1)[NH:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9](-[c:10]2[n:11][nH:12][c:13]3[cH:14][cH:15][c:16](-[c:17]4[n:18][cH:19][n:20][nH:21]4)[cH:22][c:23]23)[cH:24]1.O=CO.[Pd]
[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9](-[c:10]2[n:11][nH:12][c:13]3[cH:14][cH:15][c:16](-[c:17]4[n:18][cH:19][n:20][nH:21]4)[cH:22][c:23]23)[cH:24]1
([C:2]-[NH2;D1;+0:1])>>(O=C(-O-C-c1:c:c:c:c:c:1)-[NH;D2;+0:1]-[C:2])
41e20f607b9e9b89cd4fe1c124c0263ca345e5973e1fadb9fde6fefb
1
1
CO.O=CO.[Pd]
574
383,752
996,197
null
[CH3:1][C:2]1[N:3]=[CH:4][C:5]2[C:10]3[CH2:11][CH2:12][NH:13][CH2:14][C:9]=3[S:8][C:6]=2[N:7]=1.Cl[CH2:16][C:17]([N:19]1[CH2:24][CH2:23][N:22]([CH:25]2[CH2:28][CH2:27][CH2:26]2)[CH2:21][CH2:20]1)=[O:18].C([O-])([O-])=O.[K+].[K+].[Na+].[I-]>C(#N)C.O>[CH:25]1([N:22]2[CH2:23][CH2:24][N:19]([C:17](=[O:18])[CH2:16][N:13]3[CH2:12][CH2:11][C:10]4[C:5]5[CH:4]=[N:3][C:2]([CH3:1])=[N:7][C:6]=5[S:8][C:9]=4[CH2:14]3)[CH2:20][CH2:21]2)[CH2:28][CH2:27][CH2:26]1
|f:2.3.4,5.6|
US20110002855A1_0322
2,011
CC#N.Cl[CH2:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([CH:20]2[CH2:21][CH2:22][CH2:23]2)[CH2:24][CH2:25]1.O.O=C([O-])[O-].[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]3[c:7]([s:8][c:9]2[n:10]1)[CH2:11][NH:12][CH2:26][CH2:27]3.[I-].[K+].[K+].[Na+]>>[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]3[c:7]([s:8][c:9]2[n:10]1)[CH2:11][N:12]([CH2:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([CH:20]2[CH2:21][CH2:22][CH2:23]2)[CH2:24][CH2:25]1)[CH2:26][CH2:27]3
0.90523
CC#N.Cc1ncc2c3c(sc2n1)CNCC3.O.O=C(CCl)N1CCN(C2CCC2)CC1.O=C([O-])[O-]~[K+]~[K+].[I-]~[Na+]>>Cc1ncc2c3c(sc2n1)CN(CC(=O)N1CCN(C2CCC2)CC1)CC3
CC#N.Cc1ncc2c3c(sc2n1)CNCC3.O.O=C(CCl)N1CCN(C2CCC2)CC1.O=C([O-])[O-].[I-].[K+].[K+].[Na+]>>Cc1ncc2c3c(sc2n1)CN(CC(=O)N1CCN(C2CCC2)CC1)CC3
US20110002855A1_0322apps
9dd7c2e95f7ac1a1ab330a8dbd75c02852e2d4f560bc243b41bf2a3d
CC#N.Cl[CH2:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([CH:20]2[CH2:21][CH2:22][CH2:23]2)[CH2:24][CH2:25]1.O.O=C([O-])[O-].[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]3[c:7]([s:8][c:9]2[n:10]1)[CH2:11][NH:12][CH2:26][CH2:27]3.[I-].[K+].[K+].[Na+]
[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]3[c:7]([s:8][c:9]2[n:10]1)[CH2:11][N:12]([CH2:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([CH:20]2[CH2:21][CH2:22][CH2:23]2)[CH2:24][CH2:25]1)[CH2:26][CH2:27]3
([#7:3]-[C:2](=[O;D1;H0:4])-[CH2;D2;+0:1]-[N;H0;D3;+0:6](-[C:5])-[C:7])>>(Cl-[CH2;D2;+0:1]-[C:2](-[#7:3])=[O;D1;H0:4]).([C:5]-[NH;D2;+0:6]-[C:7])
f858818c0c1f2f66f02bcbcb6a52f9947e9808c326bd2f9e81f608a4
1
1
CC#N.O.O=C([O-])[O-].[I-].[K+].[K+].[Na+]
340
19,319
93,544
152,360
C(Cl)(=O)C(Cl)=O.CS(C)=O.[OH:11][CH2:12][C@H:13]1[CH2:18][CH2:17][C@H:16]([CH2:19][CH2:20][C:21]2[CH:28]=[CH:27][C:24]([C:25]#[N:26])=[CH:23][CH:22]=2)[CH2:15][CH2:14]1.C(N(CC)CC)C>C(Cl)Cl.O>[C:25]([C:24]1[CH:27]=[CH:28][C:21]([CH2:20][CH2:19][C@H:16]2[CH2:17][CH2:18][C@H:13]([CH:12]=[O:11])[CH2:14][CH2:15]2)=[CH:22][CH:23]=1)#[N:26]
null
US04621901_
1,986
CCN(CC)CC.CS(C)=O.ClCCl.O.O=C(Cl)C(=O)Cl.[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][C@H:9]2[CH2:10][CH2:11][C@H:12]([CH2:13][OH:14])[CH2:15][CH2:16]2)[cH:17][cH:18]1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][C@H:9]2[CH2:10][CH2:11][C@H:12]([CH:13]=[O:14])[CH2:15][CH2:16]2)[cH:17][cH:18]1
0.958743
CCN(CC)CC.CS(C)=O.ClCCl.N#Cc1ccc(CC[C@H]2CC[C@H](CO)CC2)cc1.O.O=C(Cl)C(=O)Cl>>N#Cc1ccc(CC[C@@H]2CC[C@@H](C=O)CC2)cc1
CCN(CC)CC.CS(C)=O.ClCCl.N#Cc1ccc(CC[C@H]2CC[C@H](CO)CC2)cc1.O.O=C(Cl)C(=O)Cl>>N#Cc1ccc(CC[C@@H]2CC[C@@H](C=O)CC2)cc1
US04621901_grants
888c03578ba400382d25fc2683aa7f2da9f623a11cce09a01f7d02cb
CCN(CC)CC.CS(C)=O.ClCCl.O.O=C(Cl)C(=O)Cl.[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][C@H:9]2[CH2:10][CH2:11][C@H:12]([CH2:13][OH:14])[CH2:15][CH2:16]2)[cH:17][cH:18]1
[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][C@H:9]2[CH2:10][CH2:11][C@H:12]([CH:13]=[O:14])[CH2:15][CH2:16]2)[cH:17][cH:18]1
([C:1]-[CH;D2;+0:2]=[O;H0;D1;+0:3])>>([C:1]-[CH2;D2;+0:2]-[OH;D1;+0:3])
61df3886a0291f08a9e9f8293588d04d916daa376a54f86534b439c2
1
1
CCN(CC)CC.CS(C)=O.ClCCl.O.O=C(Cl)C(=O)Cl
142
157,559
558,833
933,314
C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][C:17](/[CH:20]=[CH:21]/[C:22]3[C:30]4[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=4)[NH:24][N:23]=3)=[C:16]([NH:31][C:32]([C:34]3[S:35][CH:36]=[CH:37][C:38]=3[CH3:39])=[O:33])[CH:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.Cl.C(O)C.[OH-].[Na+]>C(O)C>[NH:24]1[C:25]2[C:30](=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:22](/[CH:21]=[CH:20]/[C:17]2[CH:18]=[CH:19][C:14]([N:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)=[CH:15][C:16]=2[NH:31][C:32]([C:34]2[S:35][CH:36]=[CH:37][C:38]=2[CH3:39])=[O:33])=[N:23]1
|f:1.2,3.4|
US07605272B2_1211
2,009
CC(C)(C)OC(=O)[N:16]1[CH2:15][CH2:14][N:13]([c:12]2[cH:11][c:10]([NH:9][C:7]([c:6]3[c:2]([CH3:1])[cH:3][cH:4][s:5]3)=[O:8])[c:21](/[CH:22]=[CH:23]/[c:24]3[n:25][nH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[cH:20][cH:19]2)[CH2:18][CH2:17]1.CCO.CCO.Cl.[Na+].[OH-]>>[CH3:1][c:2]1[cH:3][cH:4][s:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:19][cH:20][c:21]1/[CH:22]=[CH:23]/[c:24]1[n:25][nH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12
0.957344
CCO.CCO~Cl.Cc1ccsc1C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1/C=C/c1n[nH]c2ccccc12.[Na+]~[OH-]>>Cc1ccsc1C(=O)Nc1cc(N2CCNCC2)ccc1/C=C/c1n[nH]c2ccccc12
CCO.CCO.Cc1ccsc1C(=O)Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1/C=C/c1n[nH]c2ccccc12.Cl.[Na+].[OH-]>>Cc1ccsc1C(=O)Nc1cc(N2CCNCC2)ccc1/C=C/c1n[nH]c2ccccc12
US07605272B2_1211grants
9413113c7b589deb9965e28b1b5a03c67d4fed03160f89bef908deae
CC(C)(C)OC(=O)[N:16]1[CH2:15][CH2:14][N:13]([c:12]2[cH:11][c:10]([NH:9][C:7]([c:6]3[c:2]([CH3:1])[cH:3][cH:4][s:5]3)=[O:8])[c:21](/[CH:22]=[CH:23]/[c:24]3[n:25][nH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[cH:20][cH:19]2)[CH2:18][CH2:17]1.CCO.CCO.Cl.[Na+].[OH-]
[CH3:1][c:2]1[cH:3][cH:4][s:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:19][cH:20][c:21]1/[CH:22]=[CH:23]/[c:24]1[n:25][nH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
1
1
CCO.CCO.Cl.[Na+].[OH-]
575
314,179
1,021,424
1,729,089
C(=O)([O-])[O-].[K+].[K+].[CH2:7]([O:9][C:10]([C:12]1([CH2:18][O:19][CH3:20])[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1)=[O:11])[CH3:8].[Cl:21][C:22]1[CH:23]=[C:24]([C:33]2[O:37][N:36]=[C:35]([C:38]3[CH:43]=[CH:42][C:41]([CH2:44]Cl)=[CH:40][CH:39]=3)[N:34]=2)[CH:25]=[CH:26][C:27]=1[CH:28]1[CH2:32][CH2:31][CH2:30][CH2:29]1>CN(C)C=O>[CH2:7]([O:9][C:10]([C:12]1([CH2:18][O:19][CH3:20])[CH2:13][CH2:14][N:15]([CH2:44][C:41]2[CH:40]=[CH:39][C:38]([C:35]3[N:34]=[C:33]([C:24]4[CH:25]=[CH:26][C:27]([CH:28]5[CH2:32][CH2:31][CH2:30][CH2:29]5)=[C:22]([Cl:21])[CH:23]=4)[O:37][N:36]=3)=[CH:43][CH:42]=2)[CH2:16][CH2:17]1)=[O:11])[CH3:8]
|f:0.1.2|
US09266867B2_0358
2,016
CN(C)C=O.Cl[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:18]2[n:19][o:20][c:21](-[c:22]3[cH:23][cH:24][c:25]([CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30]4)[c:31]([Cl:32])[cH:33]3)[n:34]2)[cH:35][cH:36]1.O=C([O-])[O-].[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1([CH2:7][O:8][CH3:9])[CH2:10][CH2:11][NH:12][CH2:37][CH2:38]1.[K+].[K+]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1([CH2:7][O:8][CH3:9])[CH2:10][CH2:11][N:12]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:18]3[n:19][o:20][c:21](-[c:22]4[cH:23][cH:24][c:25]([CH:26]5[CH2:27][CH2:28][CH2:29][CH2:30]5)[c:31]([Cl:32])[cH:33]4)[n:34]3)[cH:35][cH:36]2)[CH2:37][CH2:38]1
0.898926
CCOC(=O)C1(COC)CCNCC1.CN(C)C=O.ClCc1ccc(-c2noc(-c3ccc(C4CCCC4)c(Cl)c3)n2)cc1.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)C1(COC)CCN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)c(Cl)c4)n3)cc2)CC1
CCOC(=O)C1(COC)CCNCC1.CN(C)C=O.ClCc1ccc(-c2noc(-c3ccc(C4CCCC4)c(Cl)c3)n2)cc1.O=C([O-])[O-].[K+].[K+]>>CCOC(=O)C1(COC)CCN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)c(Cl)c4)n3)cc2)CC1
US09266867B2_0358grants
6956a7af7f373cfb7fc37cd8f84f3fcfd83118f21ae52fe987e00044
CN(C)C=O.Cl[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:18]2[n:19][o:20][c:21](-[c:22]3[cH:23][cH:24][c:25]([CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30]4)[c:31]([Cl:32])[cH:33]3)[n:34]2)[cH:35][cH:36]1.O=C([O-])[O-].[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1([CH2:7][O:8][CH3:9])[CH2:10][CH2:11][NH:12][CH2:37][CH2:38]1.[K+].[K+]
[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]1([CH2:7][O:8][CH3:9])[CH2:10][CH2:11][N:12]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:18]3[n:19][o:20][c:21](-[c:22]4[cH:23][cH:24][c:25]([CH:26]5[CH2:27][CH2:28][CH2:29][CH2:30]5)[c:31]([Cl:32])[cH:33]4)[n:34]3)[cH:35][cH:36]2)[CH2:37][CH2:38]1
([C:3]-[N;H0;D3;+0:4](-[C:5])-[CH2;D2;+0:1]-[c:2])>>(Cl-[CH2;D2;+0:1]-[c:2]).([C:3]-[NH;D2;+0:4]-[C:5])
6f8a7db848a9ef8856658f22091cd0a39a7c1e40ccd5dceed9896a48
1
1
CN(C)C=O.O=C([O-])[O-].[K+].[K+]
156
108,652
410,739
701,250
[O:1]=[C:2]1[N:10]([CH:11]2[CH2:16][CH2:15][N:14](CC3C=CC=CC=3)[CH2:13][CH2:12]2)[C:5]2=[N:6][CH:7]=[CH:8][N:9]=[C:4]2[NH:3]1.[H][H]>CO.[Pd]>[O:1]=[C:2]1[N:10]([CH:11]2[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2)[C:5]2=[N:6][CH:7]=[CH:8][N:9]=[C:4]2[NH:3]1
null
US06953790B2_0468
2,005
CO.[H][H].[Pd].c1ccc(C[N:14]2[CH2:13][CH2:12][CH:11]([n:10]3[c:2](=[O:1])[nH:3][c:4]4[n:5][cH:6][cH:7][n:8][c:9]43)[CH2:16][CH2:15]2)cc1>>[O:1]=[c:2]1[nH:3][c:4]2[n:5][cH:6][cH:7][n:8][c:9]2[n:10]1[CH:11]1[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1
0.968843
CO.O=c1[nH]c2nccnc2n1C1CCN(Cc2ccccc2)CC1.[H][H].[Pd]>>O=c1[nH]c2nccnc2n1C1CCNCC1
CO.O=c1[nH]c2nccnc2n1C1CCN(Cc2ccccc2)CC1.[H][H].[Pd]>>O=c1[nH]c2nccnc2n1C1CCNCC1
US06953790B2_0468grants
79e8de59da5c76a73c7299b383c0eae3b1233896bd9eb333b5fe1695
CO.[H][H].[Pd].c1ccc(C[N:14]2[CH2:13][CH2:12][CH:11]([n:10]3[c:2](=[O:1])[nH:3][c:4]4[n:5][cH:6][cH:7][n:8][c:9]43)[CH2:16][CH2:15]2)cc1
[O:1]=[c:2]1[nH:3][c:4]2[n:5][cH:6][cH:7][n:8][c:9]2[n:10]1[CH:11]1[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1
([C:1]-[NH;D2;+0:2]-[C:3])>>([C:1]-[N;H0;D3;+0:2](-[C:3])-C-c1:c:c:c:c:c:1)
f58207c6c64a5b48e40756ac3ba50fe69cdf9b1d18b6063ebd95ff15
1
1
CO.[H][H].[Pd]
84
83,578
335,360
571,981
[CH:1]1([CH2:7][CH2:8][CH2:9][C@@H:10]([C:19]2[O:23][N:22]=[C:21]([CH2:24][C:25](=[O:31])[N:26]3[CH2:30][CH2:29][CH2:28][CH2:27]3)[N:20]=2)[CH2:11][C:12]([O:14]C(C)(C)C)=[O:13])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.FC(F)(F)C(O)=O>>[CH:1]1([CH2:7][CH2:8][CH2:9][C@@H:10]([C:19]2[O:23][N:22]=[C:21]([CH2:24][C:25](=[O:31])[N:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[N:20]=2)[CH2:11][C:12]([OH:14])=[O:13])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
null
US06448278B2_
2,002
CC(C)(C)[O:3][C:2](=[O:1])[CH2:4][C@@H:5]([CH2:6][CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[c:15]1[n:16][c:17]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[n:26][o:27]1.O=C(O)C(F)(F)F>>[O:1]=[C:2]([OH:3])[CH2:4][C@@H:5]([CH2:6][CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[c:15]1[n:16][c:17]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[n:26][o:27]1
0.90204
CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CC(=O)N2CCCC2)no1.O=C(O)C(F)(F)F>>O=C(O)C[C@@H](CCCC1CCCCC1)c1nc(CC(=O)N2CCCC2)no1
CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CC(=O)N2CCCC2)no1.O=C(O)C(F)(F)F>>O=C(O)C[C@@H](CCCC1CCCCC1)c1nc(CC(=O)N2CCCC2)no1
US06448278B2_grants
b965ec3f3b454f9848bca5f600dcf3a2f9246893f169a29ad1ab22b2
CC(C)(C)[O:3][C:2](=[O:1])[CH2:4][C@@H:5]([CH2:6][CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[c:15]1[n:16][c:17]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[n:26][o:27]1.O=C(O)C(F)(F)F
[O:1]=[C:2]([OH:3])[CH2:4][C@@H:5]([CH2:6][CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[c:15]1[n:16][c:17]([CH2:18][C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[n:26][o:27]1
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-C(-C)(-C)-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
cd4c8dfb74ae00d4ec8387e8837370d2f9fd4ad5e54ff56c9878f839
1
1
O=C(O)C(F)(F)F
278
361,223
636,285
null
[CH3:1][O:2][C:3](=[O:14])[CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([OH:12])[C:7]=1[Br:13].N1C=CN=C1.[C:20]([Si:24]([CH3:27])([CH3:26])Cl)([CH3:23])([CH3:22])[CH3:21]>C(Cl)Cl>[CH3:1][O:2][C:3](=[O:14])[CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([O:12][Si:24]([C:20]([CH3:23])([CH3:22])[CH3:21])([CH3:27])[CH3:26])[C:7]=1[Br:13]
null
US20080292608A1_0155
2,008
ClCCl.Cl[Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19].[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][c:11]([OH:12])[c:20]1[Br:21].c1c[nH]cn1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][c:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[c:20]1[Br:21]
0.319826
CC(C)(C)[Si](C)(C)Cl.COC(=O)CCc1cccc(O)c1Br.ClCCl.c1c[nH]cn1>>COC(=O)CCc1cccc(O[Si](C)(C)C(C)(C)C)c1Br
CC(C)(C)[Si](C)(C)Cl.COC(=O)CCc1cccc(O)c1Br.ClCCl.c1c[nH]cn1>>COC(=O)CCc1cccc(O[Si](C)(C)C(C)(C)C)c1Br
US20080292608A1_0155apps
abec63c91d893a9a414158f2921486bbfa5caf8ac8e084ca479f3d26
ClCCl.Cl[Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19].[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][c:11]([OH:12])[c:20]1[Br:21].c1c[nH]cn1
[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][c:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[c:20]1[Br:21]
([C:2]-[Si;H0;D4;+0:1](-[C;D1;H3:3])(-[C;D1;H3:4])-[O;H0;D2;+0:5]-[c:6])>>(Cl-[Si;H0;D4;+0:1](-[C:2])(-[C;D1;H3:3])-[C;D1;H3:4]).([OH;D1;+0:5]-[c:6])
78671a61751fb41a7735eaf781f047ef571d6531544684af2f680407
1
1
ClCCl.c1c[nH]cn1
746
390,161
1,132,344
null
[CH:1]1([C:4]2[N:5]=[C:6]3[C:12]([C:13]([OH:15])=O)=[CH:11][NH:10][C:7]3=[N:8][CH:9]=2)[CH2:3][CH2:2]1.[NH2:16][C@@H:17]([CH:22]1[CH2:24][CH2:23]1)[C:18]([CH3:21])([OH:20])[CH3:19].C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH:22]1([C@H:17]([NH:16][C:13]([C:12]2[C:6]3[C:7](=[N:8][CH:9]=[C:4]([CH:1]4[CH2:2][CH2:3]4)[N:5]=3)[NH:10][CH:11]=2)=[O:15])[C:18]([OH:20])([CH3:21])[CH3:19])[CH2:24][CH2:23]1
null
US20110288067A1_0838
2,011
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O[C:7](=[O:8])[c:9]1[cH:10][nH:11][c:12]2[n:13][cH:14][c:15]([CH:16]3[CH2:17][CH2:18]3)[n:19][c:20]12.On1nnc2ccccc21.[CH3:1][C:2]([CH3:3])([OH:4])[C@@H:5]([NH2:6])[CH:21]1[CH2:22][CH2:23]1>>[CH3:1][C:2]([CH3:3])([OH:4])[C@@H:5]([NH:6][C:7](=[O:8])[c:9]1[cH:10][nH:11][c:12]2[n:13][cH:14][c:15]([CH:16]3[CH2:17][CH2:18]3)[n:19][c:20]12)[CH:21]1[CH2:22][CH2:23]1
0.604701
CC(C)(O)[C@@H](N)C1CC1.CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O=C(O)c1c[nH]c2ncc(C3CC3)nc12.On1nnc2ccccc21>>CC(C)(O)[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C1CC1
CC(C)(O)[C@@H](N)C1CC1.CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O=C(O)c1c[nH]c2ncc(C3CC3)nc12.On1nnc2ccccc21>>CC(C)(O)[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C1CC1
US20110288067A1_0838apps
b01a5e23eeebb98091ff7e5e3a6759eb944b34614128f6a856851aa8
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O[C:7](=[O:8])[c:9]1[cH:10][nH:11][c:12]2[n:13][cH:14][c:15]([CH:16]3[CH2:17][CH2:18]3)[n:19][c:20]12.On1nnc2ccccc21.[CH3:1][C:2]([CH3:3])([OH:4])[C@@H:5]([NH2:6])[CH:21]1[CH2:22][CH2:23]1
[CH3:1][C:2]([CH3:3])([OH:4])[C@@H:5]([NH:6][C:7](=[O:8])[c:9]1[cH:10][nH:11][c:12]2[n:13][cH:14][c:15]([CH:16]3[CH2:17][CH2:18]3)[n:19][c:20]12)[CH:21]1[CH2:22][CH2:23]1
([#7;a:5]:[c:4]:[c:3](:[c:6]:[#7;a:7])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:9]-[C:8])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3](:[c:4]:[#7;a:5]):[c:6]:[#7;a:7]).([C:8]-[NH2;D1;+0:9])
577a3840746a2ffc3bfb987e15784f8e92c2046a88743afbadcc1d3d
1
1
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.On1nnc2ccccc21
737
267,188
878,726
1,462,620
[NH2:1][C:2]1[CH:3]=[C:4]([C:9]2[S:13][C:12]([N:14]3[CH2:20][CH2:19][CH2:18][NH:17][C:16](=[O:21])[CH2:15]3)=[N:11][CH:10]=2)[CH:5]=[C:6]([CH3:8])[CH:7]=1.Cl[C:23]1[N:28]=[C:27]([O:29][C@@H:30]2[CH2:34][CH2:33][N:32]([C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:31]2)[CH:26]=[CH:25][N:24]=1.CC(O)=O>O1CCOCC1.C(=O)(O)[O-].[Na+]>[CH3:8][C:6]1[CH:7]=[C:2]([NH:1][C:23]2[N:28]=[C:27]([O:29][C@@H:30]3[CH2:34][CH2:33][N:32]([C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:31]3)[CH:26]=[CH:25][N:24]=2)[CH:3]=[C:4]([C:9]2[S:13][C:12]([N:14]3[CH2:20][CH2:19][CH2:18][NH:17][C:16](=[O:21])[CH2:15]3)=[N:11][CH:10]=2)[CH:5]=1
|f:4.5|
US08735417B2_0192
2,014
C1COCCO1.CC(=O)O.Cl[c:6]1[n:7][cH:8][cH:9][c:10]([O:11][C@@H:12]2[CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23]2)[n:24]1.O=C([O-])O.[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:25][c:26](-[c:27]2[cH:28][n:29][c:30]([N:31]3[CH2:32][CH2:33][CH2:34][NH:35][C:36](=[O:37])[CH2:38]3)[s:39]2)[cH:40]1.[Na+]>>[CH3:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[n:7][cH:8][cH:9][c:10]([O:11][C@@H:12]3[CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23]3)[n:24]2)[cH:25][c:26](-[c:27]2[cH:28][n:29][c:30]([N:31]3[CH2:32][CH2:33][CH2:34][NH:35][C:36](=[O:37])[CH2:38]3)[s:39]2)[cH:40]1
0.537883
C1COCCO1.CC(=O)O.CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccnc(Cl)n2)C1.Cc1cc(N)cc(-c2cnc(N3CCCNC(=O)C3)s2)c1.O=C([O-])O~[Na+]>>Cc1cc(Nc2nccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc(-c2cnc(N3CCCNC(=O)C3)s2)c1
C1COCCO1.CC(=O)O.CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccnc(Cl)n2)C1.Cc1cc(N)cc(-c2cnc(N3CCCNC(=O)C3)s2)c1.O=C([O-])O.[Na+]>>Cc1cc(Nc2nccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc(-c2cnc(N3CCCNC(=O)C3)s2)c1
US08735417B2_0192grants
84a8144fdbb682f6808e008e19a84fc6e42882c031fe0308892f5135
C1COCCO1.CC(=O)O.Cl[c:6]1[n:7][cH:8][cH:9][c:10]([O:11][C@@H:12]2[CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23]2)[n:24]1.O=C([O-])O.[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:25][c:26](-[c:27]2[cH:28][n:29][c:30]([N:31]3[CH2:32][CH2:33][CH2:34][NH:35][C:36](=[O:37])[CH2:38]3)[s:39]2)[cH:40]1.[Na+]
[CH3:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[n:7][cH:8][cH:9][c:10]([O:11][C@@H:12]3[CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23]3)[n:24]2)[cH:25][c:26](-[c:27]2[cH:28][n:29][c:30]([N:31]3[CH2:32][CH2:33][CH2:34][NH:35][C:36](=[O:37])[CH2:38]3)[s:39]2)[cH:40]1
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[NH;D2;+0:4]-[c:5])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]).([NH2;D1;+0:4]-[c:5])
c9384cff16d8f069182a19c69b5ea34c7f585d1701326a079e8522b5
1
1
C1COCCO1.CC(=O)O.O=C([O-])O.[Na+]
808
48,704
211,926
342,732
[OH:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][CH:3]=1.[Cl:11][C:12]1[CH:19]=[CH:18][C:15]([CH2:16]Cl)=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+].C(OCC)(=O)C.O>CN(C)C=O>[Cl:11][C:12]1[CH:19]=[CH:18][C:15]([CH2:16][O:1][C:2]2[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][CH:3]=2)=[CH:14][CH:13]=1
|f:2.3.4,5.6|
US05550292_
1,996
CCOC(C)=O.CN(C)C=O.Cl[CH2:9][c:10]1[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]1.O.O=C([O-])[O-].[K+].[K+].[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:17][cH:18]1>>[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[cH:17][cH:18]1
0.893332
CCOC(C)=O~O.CN(C)C=O.ClCc1ccc(Cl)cc1.O=C(O)c1ccc(O)cc1.O=C([O-])[O-]~[K+]~[K+]>>O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1
CCOC(C)=O.CN(C)C=O.ClCc1ccc(Cl)cc1.O.O=C(O)c1ccc(O)cc1.O=C([O-])[O-].[K+].[K+]>>O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1
US05550292_grants
e1bdeeab4a488704fde88f49ecc90354d92857cc4e64f327201fe329
CCOC(C)=O.CN(C)C=O.Cl[CH2:9][c:10]1[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]1.O.O=C([O-])[O-].[K+].[K+].[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:17][cH:18]1
[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[cH:17][cH:18]1
([c:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-[c:4])>>(Cl-[CH2;D2;+0:1]-[c:2]).([OH;D1;+0:3]-[c:4])
19ecb0c449632e1a0d99fd6d4c00076fad1615ed07bc86df1499acb5
1
1
CCOC(C)=O.CN(C)C=O.O.O=C([O-])[O-].[K+].[K+]
49
384,299
1,001,091
null
CN([P+](ON1N=NC2C=CC=CC1=2)(N(C)C)N(C)C)C.F[P-](F)(F)(F)(F)F.[NH2:28][C:29]1[N:37]=[CH:36][CH:35]=[CH:34][C:30]=1[C:31]([OH:33])=O.Cl.[CH2:39]([C:43]1[CH:44]=[C:45]([CH:48]=[CH:49][CH:50]=1)[CH2:46][NH2:47])[CH:40]([CH3:42])[CH3:41].C(N(CC)CC)C>O.CN(C=O)C>[CH2:39]([C:43]1[CH:44]=[C:45]([CH2:46][NH:47][C:31](=[O:33])[C:30]2[CH:34]=[CH:35][CH:36]=[N:37][C:29]=2[NH2:28])[CH:48]=[CH:49][CH:50]=1)[CH:40]([CH3:42])[CH3:41]
|f:0.1,3.4|
US20110009454A1_1238
2,011
CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.Cl.F[P-](F)(F)(F)(F)F.O.O[C:12](=[O:13])[c:14]1[cH:15][cH:16][cH:17][n:18][c:19]1[NH2:20].[CH3:1][CH:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][c:9]([CH2:10][NH2:11])[cH:21]1>>[CH3:1][CH:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][c:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][n:18][c:19]2[NH2:20])[cH:21]1
0.85492
CC(C)Cc1cccc(CN)c1~Cl.CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C~F[P-](F)(F)(F)(F)F.Nc1ncccc1C(=O)O.O>>CC(C)Cc1cccc(CNC(=O)c2cccnc2N)c1
CC(C)Cc1cccc(CN)c1.CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.Cl.F[P-](F)(F)(F)(F)F.Nc1ncccc1C(=O)O.O>>CC(C)Cc1cccc(CNC(=O)c2cccnc2N)c1
US20110009454A1_1238apps
95ad3c38da450bbc23c9f00f3d9aeaa4bec3e9f383619f75f81b4cb8
CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.Cl.F[P-](F)(F)(F)(F)F.O.O[C:12](=[O:13])[c:14]1[cH:15][cH:16][cH:17][n:18][c:19]1[NH2:20].[CH3:1][CH:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][c:9]([CH2:10][NH2:11])[cH:21]1
[CH3:1][CH:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][c:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][n:18][c:19]2[NH2:20])[cH:21]1
([#7;a:5]:[c:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:6]-[C:7]-[c:8]1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[c:4]:[#7;a:5]).([NH2;D1;+0:6]-[C:7]-[c:8]1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1)
be66a529f0d7df0d697f6999dd10c354849754090fadeb4dc93ab6e0
1
1
CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.Cl.F[P-](F)(F)(F)(F)F.O
790
34,320
155,959
249,984
C([NH:4][C:5]1[CH:10]=[C:9]([CH3:11])[C:8]([S:12]([CH2:15][N+:16]([O-:18])=[O:17])(=[O:14])=[O:13])=[C:7]([CH3:19])[CH:6]=1)(=O)C.Cl.O>C(O)C>[NH2:4][C:5]1[CH:6]=[C:7]([CH3:19])[C:8]([S:12]([CH2:15][N+:16]([O-:18])=[O:17])(=[O:14])=[O:13])=[C:9]([CH3:11])[CH:10]=1
null
US05110808_
1,992
CC(=O)[NH:5][c:4]1[cH:3][c:2]([CH3:1])[c:9]([S:10](=[O:11])(=[O:12])[CH2:13][N+:14](=[O:15])[O-:16])[c:7]([CH3:8])[cH:6]1.CCO.Cl.O>>[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([CH3:8])[c:9]1[S:10](=[O:11])(=[O:12])[CH2:13][N+:14](=[O:15])[O-:16]
0.429107
CC(=O)Nc1cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c1.CCO.Cl.O>>Cc1cc(N)cc(C)c1S(=O)(=O)C[N+](=O)[O-]
CC(=O)Nc1cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c1.CCO.Cl.O>>Cc1cc(N)cc(C)c1S(=O)(=O)C[N+](=O)[O-]
US05110808_grants
79e02ddbff394b3f39427688e9d3801a836fa4fa9bd2fb48dc387b67
CC(=O)[NH:5][c:4]1[cH:3][c:2]([CH3:1])[c:9]([S:10](=[O:11])(=[O:12])[CH2:13][N+:14](=[O:15])[O-:16])[c:7]([CH3:8])[cH:6]1.CCO.Cl.O
[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([CH3:8])[c:9]1[S:10](=[O:11])(=[O:12])[CH2:13][N+:14](=[O:15])[O-:16]
([NH2;D1;+0:1]-[c:2])>>(C-C(=O)-[NH;D2;+0:1]-[c:2])
b3fe7ac814fc07c8800f085dfe1339d6cd692028f4dd821b3c37d110
1
1
CCO.Cl.O
66
141,737
511,086
857,278
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][O:15][CH2:16][CH:17]([NH2:25])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[Cl:24])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:26][C:27]1[CH:28]=[C:29]2[C:33](=[CH:34][CH:35]=1)[NH:32][C:31]([C:36](O)=[O:37])=[CH:30]2>>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][CH2:16][CH:17]([NH:25][C:36]([C:31]2[NH:32][C:33]3[C:29]([CH:30]=2)=[CH:28][C:27]([Cl:26])=[CH:35][CH:34]=3)=[O:37])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[Cl:24])[CH2:12][CH2:13]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]
null
US07427632B2_0147
2,008
O[C:17](=[O:18])[c:19]1[cH:20][c:21]2[cH:22][c:23]([Cl:24])[cH:25][cH:26][c:27]2[nH:28]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:12][O:13][CH2:14][CH:15]([NH2:16])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[Cl:35])[CH2:36][CH2:37]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:12][O:13][CH2:14][CH:15]([NH:16][C:17](=[O:18])[c:19]2[cH:20][c:21]3[cH:22][c:23]([Cl:24])[cH:25][cH:26][c:27]3[nH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[Cl:35])[CH2:36][CH2:37]1
0.375724
CC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2Cl)CC1.O=C(O)c1cc2cc(Cl)ccc2[nH]1>>CC(C)(C)OC(=O)N1CCC(COCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2Cl)CC1
CC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2Cl)CC1.O=C(O)c1cc2cc(Cl)ccc2[nH]1>>CC(C)(C)OC(=O)N1CCC(COCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2Cl)CC1
US07427632B2_0147grants
869b8682d8ea5f8d21d51feb39bcccad0cac2ca4ee0b44146658d0a5
O[C:17](=[O:18])[c:19]1[cH:20][c:21]2[cH:22][c:23]([Cl:24])[cH:25][cH:26][c:27]2[nH:28]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:12][O:13][CH2:14][CH:15]([NH2:16])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[Cl:35])[CH2:36][CH2:37]1
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:12][O:13][CH2:14][CH:15]([NH:16][C:17](=[O:18])[c:19]2[cH:20][c:21]3[cH:22][c:23]([Cl:24])[cH:25][cH:26][c:27]3[nH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[Cl:35])[CH2:36][CH2:37]1
([#7;a:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#7;a:4]).([NH2;D1;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)
38ba05c64519c4cbec396cedcc787e80df3ac7bb008ed06bcc6526d3
1
1
null
905
100,665
387,155
661,703
C([O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13]([Cl:19])=[CH:14][CH:15]=[N:16]2)=[CH:11][C:10]=1[O:20][CH3:21])C1C=CC=CC=1.C1(SC)C=CC=CC=1.CS(O)(=O)=O>FC(F)(F)S(O)(=O)=O>[Cl:19][C:13]1[C:12]2[C:17](=[CH:18][C:9]([OH:8])=[C:10]([O:20][CH3:21])[CH:11]=2)[N:16]=[CH:15][CH:14]=1
null
US06797823B1_
2,004
CS(=O)(=O)O.CSc1ccccc1.O=S(=O)(O)C(F)(F)F.c1ccc(C[O:14][c:13]2[c:3]([O:2][CH3:1])[cH:4][c:5]3[c:6]([Cl:7])[cH:8][cH:9][n:10][c:11]3[cH:12]2)cc1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([Cl:7])[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[OH:14]
0.991568
COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.CS(=O)(=O)O.CSc1ccccc1.O=S(=O)(O)C(F)(F)F>>COc1cc2c(Cl)ccnc2cc1O
COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.CS(=O)(=O)O.CSc1ccccc1.O=S(=O)(O)C(F)(F)F>>COc1cc2c(Cl)ccnc2cc1O
US06797823B1_grants
56d80edf9c4f5e376cdc9009a45da3d98904b40909e496fba94cdee2
CS(=O)(=O)O.CSc1ccccc1.O=S(=O)(O)C(F)(F)F.c1ccc(C[O:14][c:13]2[c:3]([O:2][CH3:1])[cH:4][c:5]3[c:6]([Cl:7])[cH:8][cH:9][n:10][c:11]3[cH:12]2)cc1
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([Cl:7])[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[OH:14]
([OH;D1;+0:2]-[c:1])>>([c:1]-[O;H0;D2;+0:2]-C-c1:c:c:c:c:c:1)
5aae93a61569145ed18632d801932cdc99b7a496825e1c5156904263
1
1
CS(=O)(=O)O.CSc1ccccc1.O=S(=O)(O)C(F)(F)F
23
34,820
158,197
253,591
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][Se:8][C:9]1[CH:17]=[CH:16][CH:15]=[CH:14][C:10]=1[C:11]([OH:13])=O.O=C1N(P(Cl)(N2CCOC2=O)=O)CCO1.[NH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=1.C(N(CC)CC)C>ClCCl.C(OCC)C>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][Se:8][C:9]1[CH:17]=[CH:16][CH:15]=[CH:14][C:10]=1[C:11]([NH:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=1)=[O:13]
null
US05126357_
1,992
CCN(CC)CC.CCOCC.ClCCl.O=C1OCCN1P(=O)(Cl)N1CCOC1=O.O[C:2](=[O:1])[c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1[Se:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][n:23]1.[NH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][n:9]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][n:9]1)[c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1[Se:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][n:23]1
0.846213
CCN(CC)CC.CCOCC.ClCCl.Nc1ccccn1.O=C(O)c1ccccc1[Se]Cc1ccccn1.O=C1OCCN1P(=O)(Cl)N1CCOC1=O>>O=C(Nc1ccccn1)c1ccccc1[Se]Cc1ccccn1
CCN(CC)CC.CCOCC.ClCCl.Nc1ccccn1.O=C(O)c1ccccc1[Se]Cc1ccccn1.O=C1OCCN1P(=O)(Cl)N1CCOC1=O>>O=C(Nc1ccccn1)c1ccccc1[Se]Cc1ccccn1
US05126357_grants
f42696a8ad6a3cedd1d24fa28e91c5614d33eb26069d235fc786b2e9
CCN(CC)CC.CCOCC.ClCCl.O=C1OCCN1P(=O)(Cl)N1CCOC1=O.O[C:2](=[O:1])[c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1[Se:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][n:23]1.[NH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][n:9]1
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][n:9]1)[c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1[Se:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][n:23]1
([#7;a:4]:[c:5]-[NH;D2;+0:6]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([#7;a:4]:[c:5]-[NH2;D1;+0:6])
5621cc71432372344b5c057c3be35dcf6455a9f2383971b77bef99ad
1
1
CCN(CC)CC.CCOCC.ClCCl.O=C1OCCN1P(=O)(Cl)N1CCOC1=O
744
147,203
527,276
883,527
Br[C:2]1[CH:3]=[CH:4][C:5]([O:10][CH2:11][CH2:12][O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:16])[CH3:15])=[C:6]([CH:9]=1)[CH:7]=[O:8].[CH:21]1(B(O)O)[CH2:23][CH2:22]1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>C1(C)C=CC=CC=1.O>[C:17]([Si:14]([CH3:16])([CH3:15])[O:13][CH2:12][CH2:11][O:10][C:5]1[CH:4]=[CH:3][C:2]([CH:21]2[CH2:23][CH2:22]2)=[CH:9][C:6]=1[CH:7]=[O:8])([CH3:20])([CH3:19])[CH3:18]
|f:2.3.4.5|
US07495007B2_1603
2,009
Br[c:15]1[cH:14][cH:13][c:12]([O:11][CH2:10][CH2:9][O:8][Si:5]([C:2]([CH3:1])([CH3:3])[CH3:4])([CH3:6])[CH3:7])[c:20]([CH:21]=[O:22])[cH:19]1.Cc1ccccc1.O.O=P([O-])([O-])[O-].OB(O)[CH:16]1[CH2:17][CH2:18]1.[K+].[K+].[K+]>>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([CH:16]2[CH2:17][CH2:18]2)[cH:19][c:20]1[CH:21]=[O:22]
0.34647
CC(C)(C)[Si](C)(C)OCCOc1ccc(Br)cc1C=O.Cc1ccccc1.O.O=P([O-])([O-])[O-]~[K+]~[K+]~[K+].OB(O)C1CC1>>CC(C)(C)[Si](C)(C)OCCOc1ccc(C2CC2)cc1C=O
CC(C)(C)[Si](C)(C)OCCOc1ccc(Br)cc1C=O.Cc1ccccc1.O.O=P([O-])([O-])[O-].OB(O)C1CC1.[K+].[K+].[K+]>>CC(C)(C)[Si](C)(C)OCCOc1ccc(C2CC2)cc1C=O
US07495007B2_1603grants
110d4544b40572bf8ee30437103d553b9b3fbd14b831f1070c195568
Br[c:15]1[cH:14][cH:13][c:12]([O:11][CH2:10][CH2:9][O:8][Si:5]([C:2]([CH3:1])([CH3:3])[CH3:4])([CH3:6])[CH3:7])[c:20]([CH:21]=[O:22])[cH:19]1.Cc1ccccc1.O.O=P([O-])([O-])[O-].OB(O)[CH:16]1[CH2:17][CH2:18]1.[K+].[K+].[K+]
[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([CH:16]2[CH2:17][CH2:18]2)[cH:19][c:20]1[CH:21]=[O:22]
([c:2]:[c;H0;D3;+0:1](:[c:3])-[CH;D3;+0:4]1-[C:5]-[C:6]-1)>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[CH;D3;+0:4]1-[C:5]-[C:6]-1)
300393a05cebcddeb7b7db9ac083064f2b3fc6d33cbdda0f3e35aac8
1
1
Cc1ccccc1.O.O=P([O-])([O-])[O-].[K+].[K+].[K+]
956
292,747
953,014
1,600,908
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[NH:7][C:6]3[CH2:11][C:12]4([CH2:17][CH2:16]4)[N:13]([CH3:15])[CH2:14][C:5]=3[C:4]=2[CH:3]=1.[F:18][C:19]([F:29])([F:28])[C:20]1[CH:25]=[CH:24][C:23]([CH:26]=[CH2:27])=[CH:22][N:21]=1.[OH-].[K+]>CN1C(=O)CCC1>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[N:7]([CH2:27][CH2:26][C:23]3[CH:22]=[N:21][C:20]([C:19]([F:29])([F:18])[F:28])=[CH:25][CH:24]=3)[C:6]3[CH2:11][C:12]4([CH2:16][CH2:17]4)[N:13]([CH3:15])[CH2:14][C:5]=3[C:4]=2[CH:3]=1
|f:2.3|
US08999978B2_0859
2,015
CN1CCCC1=O.[CH2:7]=[CH:8][c:9]1[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[n:17][cH:18]1.[CH3:1][N:2]1[CH2:3][c:4]2[c:5]([nH:6][c:19]3[cH:20][cH:21][c:22]([Cl:23])[cH:24][c:25]23)[CH2:26][C:27]12[CH2:28][CH2:29]2.[K+].[OH-]>>[CH3:1][N:2]1[CH2:3][c:4]2[c:5]([n:6]([CH2:7][CH2:8][c:9]3[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[n:17][cH:18]3)[c:19]3[cH:20][cH:21][c:22]([Cl:23])[cH:24][c:25]23)[CH2:26][C:27]12[CH2:28][CH2:29]2
0.294409
C=Cc1ccc(C(F)(F)F)nc1.CN1CCCC1=O.CN1Cc2c([nH]c3ccc(Cl)cc23)CC12CC2.[K+]~[OH-]>>CN1Cc2c(n(CCc3ccc(C(F)(F)F)nc3)c3ccc(Cl)cc23)CC12CC2
C=Cc1ccc(C(F)(F)F)nc1.CN1CCCC1=O.CN1Cc2c([nH]c3ccc(Cl)cc23)CC12CC2.[K+].[OH-]>>CN1Cc2c(n(CCc3ccc(C(F)(F)F)nc3)c3ccc(Cl)cc23)CC12CC2
US08999978B2_0859grants
3869dbe5c894a82e82215f85ce0b62b6c3a220cb4222f04578ff445b
CN1CCCC1=O.[CH2:7]=[CH:8][c:9]1[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[n:17][cH:18]1.[CH3:1][N:2]1[CH2:3][c:4]2[c:5]([nH:6][c:19]3[cH:20][cH:21][c:22]([Cl:23])[cH:24][c:25]23)[CH2:26][C:27]12[CH2:28][CH2:29]2.[K+].[OH-]
[CH3:1][N:2]1[CH2:3][c:4]2[c:5]([n:6]([CH2:7][CH2:8][c:9]3[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[n:17][cH:18]3)[c:19]3[cH:20][cH:21][c:22]([Cl:23])[cH:24][c:25]23)[CH2:26][C:27]12[CH2:28][CH2:29]2
([#7;a:1]:[c:2]:[c:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[n;H0;D3;+0:7](:[c:6]):[c:8])>>([#7;a:1]:[c:2]:[c:3]-[CH;D2;+0:4]=[CH2;D1;+0:5]).([c:6]:[nH;D2;+0:7]:[c:8])
2e27ebcc5cc0fe4b867d20d240f556f233aef3dcf7737ded52e0adc8
1
1
CN1CCCC1=O.[K+].[OH-]
986
207,904
704,176
1,160,275
C(OC(=O)[NH:7][CH:8]1[CH2:13][CH2:12][N:11]([CH2:14]/[CH:15]=[CH:16]/[C:17]2[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=2[F:24])[CH2:10][CH2:9]1)(C)(C)C.FC(F)(F)C(O)=O.NC1CCN(CCN2C3C=C(OC)C=CC=3COC2=O)CC1>>[F:24][C:18]1[CH:19]=[CH:20][C:21]([F:23])=[CH:22][C:17]=1/[CH:16]=[CH:15]/[CH2:14][N:11]1[CH2:12][CH2:13][CH:8]([NH2:7])[CH2:9][CH2:10]1
|f:1.2|
US08124602B2_1024
2,012
CC(C)(C)OC(=O)[NH:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:6]/[CH:7]=[CH:8]/[c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]2[F:16])[CH2:17][CH2:18]1.COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)OC2.O=C(O)C(F)(F)F>>[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:6]/[CH:7]=[CH:8]/[c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]2[F:16])[CH2:17][CH2:18]1
0.914133
CC(C)(C)OC(=O)NC1CCN(C/C=C/c2cc(F)ccc2F)CC1.COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)OC2~O=C(O)C(F)(F)F>>NC1CCN(C/C=C/c2cc(F)ccc2F)CC1
CC(C)(C)OC(=O)NC1CCN(C/C=C/c2cc(F)ccc2F)CC1.COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)OC2.O=C(O)C(F)(F)F>>NC1CCN(C/C=C/c2cc(F)ccc2F)CC1
US08124602B2_1024grants
6afdd68fbd49b341342e29334556d91b2a24c0360fde756bad98c166
CC(C)(C)OC(=O)[NH:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:6]/[CH:7]=[CH:8]/[c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]2[F:16])[CH2:17][CH2:18]1.COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)OC2.O=C(O)C(F)(F)F
[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:6]/[CH:7]=[CH:8]/[c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]2[F:16])[CH2:17][CH2:18]1
([C:2]-[NH2;D1;+0:1])>>(C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C:2])
6c83f45f485301792011c63e6835be21ece3be24f5b32a6e45acc5be
1
1
COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)OC2.O=C(O)C(F)(F)F
538
284,070
929,088
1,555,557
[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[N+:13]([O-:15])=[O:14])[C:7](Cl)=[O:8])([O-:3])=[O:2].[NH2:16][C:17]1[CH:22]=[C:21]([C:23]([F:26])([F:25])[F:24])[CH:20]=[CH:19][N:18]=1>>[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[N+:13]([O-:15])=[O:14])[C:7]([NH:16][C:17]1[CH:22]=[C:21]([C:23]([F:25])([F:24])[F:26])[CH:20]=[CH:19][N:18]=1)=[O:8])([O-:3])=[O:2]
null
US08916599B2_0780
2,014
Cl[C:2](=[O:1])[c:14]1[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[c:21]([N+:22](=[O:23])[O-:24])[cH:25]1.[NH2:3][c:4]1[cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][cH:12][n:13]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][cH:12][n:13]1)[c:14]1[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[c:21]([N+:22](=[O:23])[O-:24])[cH:25]1
0.332015
Nc1cc(C(F)(F)F)ccn1.O=C(Cl)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1>>O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
Nc1cc(C(F)(F)F)ccn1.O=C(Cl)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1>>O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
US08916599B2_0780grants
7ee32198a53b9d631ddf529fe1c46d205542e89e03ca77dd4b883032
Cl[C:2](=[O:1])[c:14]1[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[c:21]([N+:22](=[O:23])[O-:24])[cH:25]1.[NH2:3][c:4]1[cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][cH:12][n:13]1
[O:1]=[C:2]([NH:3][c:4]1[cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][cH:12][n:13]1)[c:14]1[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[c:21]([N+:22](=[O:23])[O-:24])[cH:25]1
([#7;a:4]:[c:5]-[NH;D2;+0:6]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([#7;a:4]:[c:5]-[NH2;D1;+0:6])
a671e049de4caf2f9096314a5ea24e46ef588fe29d6e04e09d23e18b
1
1
null
463
239,254
798,072
1,320,581
Cl[C:2]1[C:11]2[C:6](=[C:7]([I:13])[C:8]([CH3:12])=[CH:9][CH:10]=2)[CH:5]=[CH:4][N:3]=1.[F:14][C:15]([F:24])([F:23])[C:16]1[CH:17]=[C:18]([CH:20]=[CH:21][CH:22]=1)[NH2:19]>CC(O)C>[I:13][C:7]1[C:8]([CH3:12])=[CH:9][CH:10]=[C:11]2[C:6]=1[CH:5]=[CH:4][N:3]=[C:2]2[NH:19][C:18]1[CH:20]=[CH:21][CH:22]=[C:16]([C:15]([F:14])([F:23])[F:24])[CH:17]=1
null
US08440674B2_0391
2,013
CC(C)O.Cl[c:6]1[c:5]2[cH:4][cH:3][c:2]([CH3:1])[c:22]([I:23])[c:21]2[cH:20][cH:19][n:18]1.[NH2:7][c:8]1[cH:9][cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:7][c:8]3[cH:9][cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17]3)[n:18][cH:19][cH:20][c:21]2[c:22]1[I:23]
0.387071
CC(C)O.Cc1ccc2c(Cl)nccc2c1I.Nc1cccc(C(F)(F)F)c1>>Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)nccc2c1I
CC(C)O.Cc1ccc2c(Cl)nccc2c1I.Nc1cccc(C(F)(F)F)c1>>Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)nccc2c1I
US08440674B2_0391grants
850911a37a5db7b9102ef1ef059232b48a5d19926a6c609d928d5b3e
CC(C)O.Cl[c:6]1[c:5]2[cH:4][cH:3][c:2]([CH3:1])[c:22]([I:23])[c:21]2[cH:20][cH:19][n:18]1.[NH2:7][c:8]1[cH:9][cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17]1
[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:7][c:8]3[cH:9][cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17]3)[n:18][cH:19][cH:20][c:21]2[c:22]1[I:23]
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[NH;D2;+0:4]-[c:5])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([NH2;D1;+0:4]-[c:5])
d3c0e3d30997502d61c408a05ad1cdc8f5709f145f8cf173e0a3ac8a
1
1
CC(C)O
434
308,700
1,003,573
1,696,858
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]([CH3:13])([CH3:12])[CH2:10][OH:11])[CH:6]=[CH:7][CH:8]=1.Cl[CH2:15][O:16][CH3:17]>C1COCC1>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([C:9]([CH3:13])([CH3:12])[CH2:10][O:11][CH2:15][O:16][CH3:17])[CH:4]=1
null
US09193704B2_0517
2,015
C1CCOC1.Cl[CH2:3][O:2][CH3:1].[OH:4][CH2:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]1>>[CH3:1][O:2][CH2:3][O:4][CH2:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]1
0.763304
C1CCOC1.COCCl.COc1cccc(C(C)(C)CO)c1>>COCOCC(C)(C)c1cccc(OC)c1
C1CCOC1.COCCl.COc1cccc(C(C)(C)CO)c1>>COCOCC(C)(C)c1cccc(OC)c1
US09193704B2_0517grants
612af2f2fe26c2cdbc2cf80ff94e2cf5860c7f0576fba622c523e4e6
C1CCOC1.Cl[CH2:3][O:2][CH3:1].[OH:4][CH2:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]1
[CH3:1][O:2][CH2:3][O:4][CH2:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]1
([#8:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:4]-[C:3])>>(Cl-[CH2;D2;+0:1]-[#8:2]).([C:3]-[OH;D1;+0:4])
b16058e06e13e3fc52e1861f743cb43b36208716c35d4f6490a5f00b
0.5
2
C1CCOC1
598
6,876
35,257
54,263
[C:1]1([OH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[N+](C1C=CC=CC=1)([O-])=O.[Al+3].[Cl-].[Cl-].[Cl-].[CH2:21]([C:27](Cl)=[O:28])[CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].Cl>>[C:27]([C:4]1[CH:5]=[CH:6][C:1]([OH:7])=[CH:2][CH:3]=1)(=[O:28])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26]
|f:2.3.4.5|
US04147655_
1,979
Cl.Cl[C:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:8].O=[N+]([O-])c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-].[cH:9]1[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]1
0.764647
CCCCCCC(=O)Cl.Cl.O=[N+]([O-])c1ccccc1.Oc1ccccc1.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>CCCCCCC(=O)c1ccc(O)cc1
CCCCCCC(=O)Cl.Cl.O=[N+]([O-])c1ccccc1.Oc1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-]>>CCCCCCC(=O)c1ccc(O)cc1
US04147655_grants
189824ef65f13618bedeb4bf8f74597093e06ed4ca34ccc81e3bb63f
Cl.Cl[C:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:8].O=[N+]([O-])c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-].[cH:9]1[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]1
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]1
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[c;H0;D3;+0:5](:[c:4]):[c:6])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([c:4]:[cH;D2;+0:5]:[c:6])
6744b6da9ed990d9e04bc2e5cba97e24866326ef579e4c88e3392980
1
1
Cl.O=[N+]([O-])c1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-]
31
143,948
517,137
867,153
C(Cl)Cl.[F:4][CH:5]1[CH:10]([O:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:9][CH2:8][CH:7]([OH:20])[CH2:6]1.C(N(CC)C(C)C)(C)C.[CH3:30][S:31](Cl)(=[O:33])=[O:32]>C(OCC)(=O)C.CCCCCC>[CH3:30][S:31]([O:20][CH:7]1[CH2:8][CH2:9][CH:10]([O:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:5]([F:4])[CH2:6]1)(=[O:33])=[O:32]
null
US07452893B2_0500
2,008
CCCCCC.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.Cl[S:2]([CH3:1])(=[O:3])=[O:4].[OH:5][CH:6]1[CH2:7][CH2:8][CH:9]([O:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH:19]([F:20])[CH2:21]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH:6]1[CH2:7][CH2:8][CH:9]([O:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH:19]([F:20])[CH2:21]1
0.483869
CCCCCC.CCN(C(C)C)C(C)C.CCOC(C)=O.CS(=O)(=O)Cl.ClCCl.OC1CCC(OCCc2ccccc2)C(F)C1>>CS(=O)(=O)OC1CCC(OCCc2ccccc2)C(F)C1
CCCCCC.CCN(C(C)C)C(C)C.CCOC(C)=O.CS(=O)(=O)Cl.ClCCl.OC1CCC(OCCc2ccccc2)C(F)C1>>CS(=O)(=O)OC1CCC(OCCc2ccccc2)C(F)C1
US07452893B2_0500grants
a988394b2e0667effe14b6208415b51092a95c7b5f32a62f3e1943fc
CCCCCC.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.Cl[S:2]([CH3:1])(=[O:3])=[O:4].[OH:5][CH:6]1[CH2:7][CH2:8][CH:9]([O:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH:19]([F:20])[CH2:21]1
[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH:6]1[CH2:7][CH2:8][CH:9]([O:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH:19]([F:20])[CH2:21]1
([C:5]-[O;H0;D2;+0:6]-[S;H0;D4;+0:1](-[C;D1;H3:2])(=[O;D1;H0:3])=[O;D1;H0:4])>>(Cl-[S;H0;D4;+0:1](-[C;D1;H3:2])(=[O;D1;H0:3])=[O;D1;H0:4]).([C:5]-[OH;D1;+0:6])
5b2ff2a69fb7bd6a032938e468684773bcc668928b037bbec0ac8335
1
1
CCCCCC.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl
0
417,292
1,731,148
null
[F:1][C:2]([F:24])([F:23])[C:3]1[CH:4]=[CH:5][C:6]([O:9][C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]=[C:15]([C:20]([OH:22])=O)[CH:14]=[CH:13]3)=[N:7][CH:8]=1.F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(CC)CC)C.[CH:54]1([N:58]2[CH2:63][CH2:62][NH:61][CH2:60][CH2:59]2)[CH2:57][CH2:56][CH2:55]1>CS(C)=O.CO>[CH:54]1([N:58]2[CH2:63][CH2:62][N:61]([C:20]([C:15]3[CH:14]=[CH:13][C:12]4[C:17](=[CH:18][CH:19]=[C:10]([O:9][C:6]5[CH:5]=[CH:4][C:3]([C:2]([F:23])([F:1])[F:24])=[CH:8][N:7]=5)[CH:11]=4)[N:16]=3)=[O:22])[CH2:60][CH2:59]2)[CH2:57][CH2:56][CH2:55]1
|f:1.2|
US20150218102A1_0892
2,015
CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CO.CS(C)=O.F[B-](F)(F)F.O[C:2](=[O:1])[c:3]1[cH:4][cH:5][c:6]2[cH:7][c:8]([O:9][c:10]3[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][n:19]3)[cH:20][cH:21][c:22]2[n:23]1.[NH:24]1[CH2:25][CH2:26][N:27]([CH:28]2[CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33]1>>[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]2[cH:7][c:8]([O:9][c:10]3[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][n:19]3)[cH:20][cH:21][c:22]2[n:23]1)[N:24]1[CH2:25][CH2:26][N:27]([CH:28]2[CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33]1
0.212115
C1CC(N2CCNCC2)C1.CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.CO.CS(C)=O.O=C(O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1>>O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(C2CCC2)CC1
C1CC(N2CCNCC2)C1.CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CO.CS(C)=O.F[B-](F)(F)F.O=C(O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1>>O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(C2CCC2)CC1
US20150218102A1_0892apps
d1ee1eee3e72425a964c350d04cee3654ef7564a5d9646a84baa7856
CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CO.CS(C)=O.F[B-](F)(F)F.O[C:2](=[O:1])[c:3]1[cH:4][cH:5][c:6]2[cH:7][c:8]([O:9][c:10]3[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][n:19]3)[cH:20][cH:21][c:22]2[n:23]1.[NH:24]1[CH2:25][CH2:26][N:27]([CH:28]2[CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33]1
[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]2[cH:7][c:8]([O:9][c:10]3[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][n:19]3)[cH:20][cH:21][c:22]2[n:23]1)[N:24]1[CH2:25][CH2:26][N:27]([CH:28]2[CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33]1
([#7;a:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[N;H0;D3;+0:6](-[C:5])-[C:7])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#7;a:4]).([C:5]-[NH;D2;+0:6]-[C:7])
22b985b25d0742ff0ebd4a2011a23d0de4fbbe24f1e8e2b5cec283df
1
1
CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CO.CS(C)=O.F[B-](F)(F)F
605
283,323
927,329
1,552,290
[CH:1]([N:4]([CH3:24])[C:5]1[C:6]([C:19]2[CH:20]=[N:21][NH:22][CH:23]=2)=[N:7][C:8]2[C:13]([N:14]=1)=[CH:12][C:11]([C:15]([O:17]C)=[O:16])=[CH:10][CH:9]=2)([CH3:3])[CH3:2].O.[OH-].[Li+]>CO.O>[CH:1]([N:4]([CH3:24])[C:5]1[C:6]([C:19]2[CH:20]=[N:21][NH:22][CH:23]=2)=[N:7][C:8]2[C:13]([N:14]=1)=[CH:12][C:11]([C:15]([OH:17])=[O:16])=[CH:10][CH:9]=2)([CH3:3])[CH3:2]
|f:1.2.3|
US08912188B2_0271
2,014
CO.C[O:13][C:11]([c:10]1[cH:9][c:8]2[n:7][c:6]([N:4]([CH:2]([CH3:1])[CH3:3])[CH3:5])[c:18](-[c:19]3[cH:20][n:21][nH:22][cH:23]3)[n:17][c:16]2[cH:15][cH:14]1)=[O:12].O.O.[Li+].[OH-]>>[CH3:1][CH:2]([CH3:3])[N:4]([CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]2[n:17][c:18]1-[c:19]1[cH:20][n:21][nH:22][cH:23]1
0.516984
CO.COC(=O)c1ccc2nc(-c3cn[nH]c3)c(N(C)C(C)C)nc2c1.O.O~[Li+]~[OH-]>>CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cn[nH]c1
CO.COC(=O)c1ccc2nc(-c3cn[nH]c3)c(N(C)C(C)C)nc2c1.O.O.[Li+].[OH-]>>CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cn[nH]c1
US08912188B2_0271grants
7eacb6f6b2de35acfbdd699c27fdcb0e0788e63db6c8ceb08c4b36ef
CO.C[O:13][C:11]([c:10]1[cH:9][c:8]2[n:7][c:6]([N:4]([CH:2]([CH3:1])[CH3:3])[CH3:5])[c:18](-[c:19]3[cH:20][n:21][nH:22][cH:23]3)[n:17][c:16]2[cH:15][cH:14]1)=[O:12].O.O.[Li+].[OH-]
[CH3:1][CH:2]([CH3:3])[N:4]([CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]2[n:17][c:18]1-[c:19]1[cH:20][n:21][nH:22][cH:23]1
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)
48f3c58ed4b2eb976195200c79ebaafb36d7eb1c6248c7c6424a4457
1
1
CO.O.O.[Li+].[OH-]
247
401,326
1,408,997
null
[CH3:1][C:2]1[N:9]([CH2:10][C:11]([O:13]CC)=[O:12])[C:5]2[N:6]=[CH:7][S:8][C:4]=2[C:3]=1[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[S:23]([N:26]1[CH2:30][CH2:29][CH2:28][CH2:27]1)(=[O:25])=[O:24].[OH-].[Li+]>C1COCC1.CO.O>[CH3:1][C:2]1[N:9]([CH2:10][C:11]([OH:13])=[O:12])[C:5]2[N:6]=[CH:7][S:8][C:4]=2[C:3]=1[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[S:23]([N:26]1[CH2:30][CH2:29][CH2:28][CH2:27]1)(=[O:25])=[O:24]
|f:1.2,3.4.5|
US20130216552A1_0242
2,013
C1CCOC1.CC[O:28][C:26]([CH2:25][n:24]1[c:2]([CH3:1])[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[s:20][cH:21][n:22][c:23]21)=[O:27].CO.O.[Li+].[OH-]>>[CH3:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[s:20][cH:21][n:22][c:23]2[n:24]1[CH2:25][C:26](=[O:27])[OH:28]
0.561236
C1CCOC1~CO~O.CCOC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)N2CCCC2)c2scnc21.[Li+]~[OH-]>>Cc1c(Cc2ccccc2S(=O)(=O)N2CCCC2)c2scnc2n1CC(=O)O
C1CCOC1.CCOC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)N2CCCC2)c2scnc21.CO.O.[Li+].[OH-]>>Cc1c(Cc2ccccc2S(=O)(=O)N2CCCC2)c2scnc2n1CC(=O)O
US20130216552A1_0242apps
cac4a0709a566941f3a3f50785b50066b74020fb74334347fc7505b7
C1CCOC1.CC[O:28][C:26]([CH2:25][n:24]1[c:2]([CH3:1])[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[s:20][cH:21][n:22][c:23]21)=[O:27].CO.O.[Li+].[OH-]
[CH3:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[s:20][cH:21][n:22][c:23]2[n:24]1[CH2:25][C:26](=[O:27])[OH:28]
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
9a4c5ceadb3b4a753bb8f03491f138cd875a84f1d327e818237f90df
1
1
C1CCOC1.CO.O.[Li+].[OH-]
7
127,869
469,371
794,674
[F:1][CH:2]([F:24])[C:3]1[N:8]2[N:9]=[CH:10][C:11]([C:12]#[CH:13])=[C:7]2[N:6]=[C:5]([C:14]2[CH:19]=[CH:18][C:17]([C:20]([F:23])([F:22])[F:21])=[CH:16][CH:15]=2)[CH:4]=1.Br[C:26]1[CH:27]=[C:28]([S:32]([NH:35][C:36]([CH2:40][OH:41])([CH3:39])[CH2:37][OH:38])(=[O:34])=[O:33])[CH:29]=[CH:30][CH:31]=1>>[F:24][CH:2]([F:1])[C:3]1[N:8]2[N:9]=[CH:10][C:11]([C:12]#[C:13][C:26]3[CH:27]=[C:28]([S:32]([NH:35][C:36]([CH2:40][OH:41])([CH3:39])[CH2:37][OH:38])(=[O:34])=[O:33])[CH:29]=[CH:30][CH:31]=3)=[C:7]2[N:6]=[C:5]([C:14]2[CH:19]=[CH:18][C:17]([C:20]([F:23])([F:22])[F:21])=[CH:16][CH:15]=2)[CH:4]=1
null
US07238808B2_0803
2,007
Br[c:15]1[cH:14][cH:13][cH:12][c:11]([S:8]([NH:7][C:2]([CH3:1])([CH2:3][OH:4])[CH2:5][OH:6])(=[O:9])=[O:10])[cH:40]1.[CH:16]#[C:17][c:18]1[cH:19][n:20][n:21]2[c:22]([CH:23]([F:24])[F:25])[cH:26][c:27](-[c:28]3[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]3)[n:38][c:39]12>>[CH3:1][C:2]([CH2:3][OH:4])([CH2:5][OH:6])[NH:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][cH:13][cH:14][c:15]([C:16]#[C:17][c:18]2[cH:19][n:20][n:21]3[c:22]([CH:23]([F:24])[F:25])[cH:26][c:27](-[c:28]4[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]4)[n:38][c:39]23)[cH:40]1
0.048335
C#Cc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.CC(CO)(CO)NS(=O)(=O)c1cccc(Br)c1>>CC(CO)(CO)NS(=O)(=O)c1cccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
C#Cc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.CC(CO)(CO)NS(=O)(=O)c1cccc(Br)c1>>CC(CO)(CO)NS(=O)(=O)c1cccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
US07238808B2_0803grants
f16a019b774509d6dc91dddf6a436342e5bcf57c21bf2cd578b03c74
Br[c:15]1[cH:14][cH:13][cH:12][c:11]([S:8]([NH:7][C:2]([CH3:1])([CH2:3][OH:4])[CH2:5][OH:6])(=[O:9])=[O:10])[cH:40]1.[CH:16]#[C:17][c:18]1[cH:19][n:20][n:21]2[c:22]([CH:23]([F:24])[F:25])[cH:26][c:27](-[c:28]3[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]3)[n:38][c:39]12
[CH3:1][C:2]([CH2:3][OH:4])([CH2:5][OH:6])[NH:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][cH:13][cH:14][c:15]([C:16]#[C:17][c:18]2[cH:19][n:20][n:21]3[c:22]([CH:23]([F:24])[F:25])[cH:26][c:27](-[c:28]4[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]4)[n:38][c:39]23)[cH:40]1
([C:4]#[C;H0;D2;+0:5]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]#[CH;D1;+0:5])
42f697fc7ae70923f5806984441d2582468344af75caeb7e213f1b10
0.5
2
null
659
120,350
446,466
758,546
Cl.[NH2:2][C@@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10](=[O:27])[C:11]2[CH:16]=[C:15]([F:17])[CH:14]=[N:13][C:12]=2[O:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([S:25][CH3:26])[CH:20]=2)[CH2:5][CH2:4]1.C(N(CC)CC)C.[CH3:35][C:36]1([C:39](O)=[O:40])[CH2:38][CH2:37]1.Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1>CN(C)C=O>[F:17][C:15]1[CH:14]=[N:13][C:12]([O:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([S:25][CH3:26])[CH:20]=2)=[C:11]([CH:16]=1)[C:10]([NH:9][C@H:6]1[CH2:7][CH2:8][C@@H:3]([NH:2][C:39]([C:36]2([CH3:35])[CH2:38][CH2:37]2)=[O:40])[CH2:4][CH2:5]1)=[O:27]
|f:0.1,4.5|
US07141586B2_0663
2,006
CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.Cl.O[C:24](=[O:25])[C:26]1([CH3:27])[CH2:28][CH2:29]1.On1nnc2ccccc21.[CH3:1][S:2][c:3]1[cH:4][cH:5][cH:6][c:7]([O:8][c:9]2[n:10][cH:11][c:12]([F:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][C@H:19]2[CH2:20][CH2:21][C@@H:22]([NH2:23])[CH2:30][CH2:31]2)[cH:32]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][cH:6][c:7]([O:8][c:9]2[n:10][cH:11][c:12]([F:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][C@H:19]2[CH2:20][CH2:21][C@@H:22]([NH:23][C:24](=[O:25])[C:26]3([CH3:27])[CH2:28][CH2:29]3)[CH2:30][CH2:31]2)[cH:32]1
0.655671
CC1(C(=O)O)CC1.CCN(CC)CC.CCN=C=NCCCN(C)C~Cl.CN(C)C=O.CSc1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@@H](N)CC2)c1~Cl.On1nnc2ccccc21>>CSc1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@H](NC(=O)C3(C)CC3)CC2)c1
CC1(C(=O)O)CC1.CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.CSc1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@@H](N)CC2)c1.Cl.Cl.On1nnc2ccccc21>>CSc1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@H](NC(=O)C3(C)CC3)CC2)c1
US07141586B2_0663grants
7a82e3c977969c34aef4a27905909f8c2da839059f95fa77c6935e67
CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.Cl.O[C:24](=[O:25])[C:26]1([CH3:27])[CH2:28][CH2:29]1.On1nnc2ccccc21.[CH3:1][S:2][c:3]1[cH:4][cH:5][cH:6][c:7]([O:8][c:9]2[n:10][cH:11][c:12]([F:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][C@H:19]2[CH2:20][CH2:21][C@@H:22]([NH2:23])[CH2:30][CH2:31]2)[cH:32]1
[CH3:1][S:2][c:3]1[cH:4][cH:5][cH:6][c:7]([O:8][c:9]2[n:10][cH:11][c:12]([F:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][C@H:19]2[CH2:20][CH2:21][C@@H:22]([NH:23][C:24](=[O:25])[C:26]3([CH3:27])[CH2:28][CH2:29]3)[CH2:30][CH2:31]2)[cH:32]1
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
9700dfbbea18932b10f40ed49527a6efd0b261364d0b5e3b1e240441
1
1
CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.Cl.On1nnc2ccccc21
230
102,119
391,419
669,093
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([CH:15]=O)=[CH:11][CH:10]=2)=[CH:5][CH:4]=1.[C@@H:17]1([NH2:27])[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH2:20][CH2:19][CH2:18]1>>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([CH2:15][NH:27][C@@H:17]3[C:26]4[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=4)[CH2:20][CH2:19][CH2:18]3)=[CH:11][CH:10]=2)=[CH:5][CH:4]=1
null
US06831193B2_
2,004
O=[CH:11][c:10]1[cH:9][cH:8][c:7](-[c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:26][cH:25]2)[cH:24][cH:23]1.[NH2:12][C@H:13]1[CH2:14][CH2:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]21>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([CH2:11][NH:12][C@H:13]3[CH2:14][CH2:15][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]43)[cH:23][cH:24]2)[cH:25][cH:26]1
0.936975
COc1ccc(-c2ccc(C=O)cc2)cc1.N[C@H]1CCCc2ccccc21>>COc1ccc(-c2ccc(CN[C@H]3CCCc4ccccc43)cc2)cc1
COc1ccc(-c2ccc(C=O)cc2)cc1.N[C@H]1CCCc2ccccc21>>COc1ccc(-c2ccc(CN[C@H]3CCCc4ccccc43)cc2)cc1
US06831193B2_grants
14ad147ed07788d4bf4d800e179d94dc45a312dde54ef6419168e6cf
O=[CH:11][c:10]1[cH:9][cH:8][c:7](-[c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:26][cH:25]2)[cH:24][cH:23]1.[NH2:12][C@H:13]1[CH2:14][CH2:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]21
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([CH2:11][NH:12][C@H:13]3[CH2:14][CH2:15][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]43)[cH:23][cH:24]2)[cH:25][cH:26]1
([c:2]-[CH2;D2;+0:1]-[NH;D2;+0:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)>>(O=[CH;D2;+0:1]-[c:2]).([NH2;D1;+0:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)
24624f6f33a33ee7d79fdecddd4cc9b3195f73264de03dc892f32b12
1
1
null
683
302,948
985,257
1,661,373
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]([C:17](=[O:20])[NH:18][CH3:19])=[C:15]3[C:10]([CH:11]=[C:12]([N:24]([S:38]([CH3:41])(=[O:40])=[O:39])[CH2:25][CH2:26][CH:27]4[CH2:30][N:29](C(OC(C)(C)C)=O)[CH2:28]4)[C:13]([CH:21]4[CH2:23][CH2:22]4)=[CH:14]3)=[N:9]2)=[CH:4][CH:3]=1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH:29]1[CH2:30][CH:27]([CH2:26][CH2:25][N:24]([S:38]([CH3:41])(=[O:40])=[O:39])[C:12]2[C:13]([CH:21]3[CH2:22][CH2:23]3)=[CH:14][C:15]3[C:10]([CH:11]=2)=[N:9][N:8]([C:5]2[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=2)[C:16]=3[C:17]([NH:18][CH3:19])=[O:20])[CH2:28]1
null
US09120775B2_0263
2,015
CC(C)(C)OC(=O)[N:18]1[CH2:17][CH:16]([CH2:15][CH2:14][N:13]([c:12]2[c:8]([CH:9]3[CH2:10][CH2:11]3)[cH:7][c:6]3[c:5]([C:3]([NH:2][CH3:1])=[O:4])[n:27](-[c:28]4[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]4)[n:26][c:25]3[cH:24]2)[S:20]([CH3:21])(=[O:22])=[O:23])[CH2:19]1.ClCCl.O=C(O)C(F)(F)F>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6]2[cH:7][c:8]([CH:9]3[CH2:10][CH2:11]3)[c:12]([N:13]([CH2:14][CH2:15][CH:16]3[CH2:17][NH:18][CH2:19]3)[S:20]([CH3:21])(=[O:22])=[O:23])[cH:24][c:25]2[n:26][n:27]1-[c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1
0.559751
CNC(=O)c1c2cc(C3CC3)c(N(CCC3CN(C(=O)OC(C)(C)C)C3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1.ClCCl.O=C(O)C(F)(F)F>>CNC(=O)c1c2cc(C3CC3)c(N(CCC3CNC3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1
CNC(=O)c1c2cc(C3CC3)c(N(CCC3CN(C(=O)OC(C)(C)C)C3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1.ClCCl.O=C(O)C(F)(F)F>>CNC(=O)c1c2cc(C3CC3)c(N(CCC3CNC3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1
US09120775B2_0263grants
d69bf34b277d7e7ca7feb40ac6fdd6f35797398481f918245fb3e850
CC(C)(C)OC(=O)[N:18]1[CH2:17][CH:16]([CH2:15][CH2:14][N:13]([c:12]2[c:8]([CH:9]3[CH2:10][CH2:11]3)[cH:7][c:6]3[c:5]([C:3]([NH:2][CH3:1])=[O:4])[n:27](-[c:28]4[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]4)[n:26][c:25]3[cH:24]2)[S:20]([CH3:21])(=[O:22])=[O:23])[CH2:19]1.ClCCl.O=C(O)C(F)(F)F
[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6]2[cH:7][c:8]([CH:9]3[CH2:10][CH2:11]3)[c:12]([N:13]([CH2:14][CH2:15][CH:16]3[CH2:17][NH:18][CH2:19]3)[S:20]([CH3:21])(=[O:22])=[O:23])[cH:24][c:25]2[n:26][n:27]1-[c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
0.5
2
ClCCl.O=C(O)C(F)(F)F
575
118,779
442,598
752,828
[F:1][CH2:2][CH2:3][CH2:4][OH:5].[CH3:6][S:7](Cl)(=[O:9])=[O:8].O>C(Cl)Cl>[F:1][CH2:2][CH2:3][CH2:4][O:5][S:7]([CH3:6])(=[O:9])=[O:8]
null
US07129259B2_0274
2,006
ClCCl.Cl[S:2]([CH3:1])(=[O:3])=[O:4].O.[OH:5][CH2:6][CH2:7][CH2:8][F:9]>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH2:7][CH2:8][F:9]
0.554926
CS(=O)(=O)Cl.ClCCl.O.OCCCF>>CS(=O)(=O)OCCCF
CS(=O)(=O)Cl.ClCCl.O.OCCCF>>CS(=O)(=O)OCCCF
US07129259B2_0274grants
8d3a80e9561f6c62787337e8207b339501a42fa7887a7111bbb22e7d
ClCCl.Cl[S:2]([CH3:1])(=[O:3])=[O:4].O.[OH:5][CH2:6][CH2:7][CH2:8][F:9]
[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH2:7][CH2:8][F:9]
([C:5]-[O;H0;D2;+0:6]-[S;H0;D4;+0:1](-[C;D1;H3:2])(=[O;D1;H0:3])=[O;D1;H0:4])>>(Cl-[S;H0;D4;+0:1](-[C;D1;H3:2])(=[O;D1;H0:3])=[O;D1;H0:4]).([C:5]-[OH;D1;+0:6])
5b2ff2a69fb7bd6a032938e468684773bcc668928b037bbec0ac8335
1
1
ClCCl.O
0
42,450
187,522
301,855
[CH2:1]([O:8][C:9]1[C:14]([OH:15])=[CH:13][C:12]([CH2:16][CH3:17])=[CH:11][C:10]=1[O:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]([C:27]#[N:28])([CH3:26])[CH3:25])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Br[CH:30]1[CH2:34][CH2:33][CH2:32][CH2:31]1>>[CH2:1]([O:8][C:9]1[C:14]([O:15][CH:30]2[CH2:34][CH2:33][CH2:32][CH2:31]2)=[CH:13][C:12]([CH2:16][CH3:17])=[CH:11][C:10]=1[O:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]([C:27]#[N:28])([CH3:25])[CH3:26])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
null
US05352690_
1,994
Br[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[CH3:1][CH2:2][c:3]1[cH:4][c:5]([O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16])[c:17]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]([OH:27])[cH:33]1>>[CH3:1][CH2:2][c:3]1[cH:4][c:5]([O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16])[c:17]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]([O:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[cH:33]1
0.499264
BrC1CCCC1.CCc1cc(O)c(OCc2ccccc2)c(OCCCCCC(C)(C)C#N)c1>>CCc1cc(OCCCCCC(C)(C)C#N)c(OCc2ccccc2)c(OC2CCCC2)c1
BrC1CCCC1.CCc1cc(O)c(OCc2ccccc2)c(OCCCCCC(C)(C)C#N)c1>>CCc1cc(OCCCCCC(C)(C)C#N)c(OCc2ccccc2)c(OC2CCCC2)c1
US05352690_grants
c78f770249fb217515bb444f7097a7cfcc826527ca5cd944b2585e33
Br[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[CH3:1][CH2:2][c:3]1[cH:4][c:5]([O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16])[c:17]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]([OH:27])[cH:33]1
[CH3:1][CH2:2][c:3]1[cH:4][c:5]([O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16])[c:17]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]([O:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[cH:33]1
([C:2]-[CH;D3;+0:1](-[C:3])-[O;H0;D2;+0:4]-[c:5])>>(Br-[CH;D3;+0:1](-[C:2])-[C:3]).([OH;D1;+0:4]-[c:5])
933f04369923107886011b102911358d6493b4757650273b52832292
1
1
null
153
78,523
318,094
539,036
C(N1C=CN=C1)(N1C=CN=C1)=O.[F:13][C:14]1[CH:31]=[CH:30][CH:29]=[CH:28][C:15]=1[NH:16][C:17]1[CH:25]=[C:24]([F:26])[C:23]([F:27])=[CH:22][C:18]=1[C:19]([OH:21])=O.Cl.[CH2:33]([O:40][NH2:41])[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.C(N(CC)CC)C>>[F:13][C:14]1[CH:31]=[CH:30][CH:29]=[CH:28][C:15]=1[NH:16][C:17]1[CH:25]=[C:24]([F:26])[C:23]([F:27])=[CH:22][C:18]=1[C:19]([NH:41][O:40][CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)=[O:21]
|f:2.3|
US06331538B1_
2,001
CCN(CC)CC.Cl.O=C(n1ccnc1)n1ccnc1.O[C:2](=[O:1])[c:12]1[cH:13][c:14]([F:15])[c:16]([F:17])[cH:18][c:19]1[NH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[F:27].[NH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[O:1]=[C:2]([NH:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([F:15])[c:16]([F:17])[cH:18][c:19]1[NH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[F:27]
0.805174
CCN(CC)CC.Cl~NOCc1ccccc1.O=C(O)c1cc(F)c(F)cc1Nc1ccccc1F.O=C(n1ccnc1)n1ccnc1>>O=C(NOCc1ccccc1)c1cc(F)c(F)cc1Nc1ccccc1F
CCN(CC)CC.Cl.NOCc1ccccc1.O=C(O)c1cc(F)c(F)cc1Nc1ccccc1F.O=C(n1ccnc1)n1ccnc1>>O=C(NOCc1ccccc1)c1cc(F)c(F)cc1Nc1ccccc1F
US06331538B1_grants
0a55cab703b3212f4adff3edd64eadaf9cf009e2c1404de2f8db90d0
CCN(CC)CC.Cl.O=C(n1ccnc1)n1ccnc1.O[C:2](=[O:1])[c:12]1[cH:13][c:14]([F:15])[c:16]([F:17])[cH:18][c:19]1[NH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[F:27].[NH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1
[O:1]=[C:2]([NH:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([F:15])[c:16]([F:17])[cH:18][c:19]1[NH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[F:27]
([#8:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([#8:4]-[NH2;D1;+0:5])
f8a6e6d7b21c8e6492f58db3276042e510b8960f5e8ce3f4110c9fb4
1
1
CCN(CC)CC.Cl.O=C(n1ccnc1)n1ccnc1
741
224,054
751,676
1,238,646
Br[C:2]1[C:3]([CH3:15])=[C:4]([O:13][CH3:14])[C:5]2[O:9][CH:8]([CH3:10])[CH2:7][C:6]=2[C:11]=1[CH3:12].[CH3:16][O:17][C:18]1[CH:19]=[C:20]([N:24]2[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)[CH:21]=[CH:22][CH:23]=1>>[CH3:16][O:17][C:18]1[CH:19]=[C:20]([N:24]2[CH2:29][CH2:28][N:27]([C:2]3[C:3]([CH3:15])=[C:4]([O:13][CH3:14])[C:5]4[O:9][CH:8]([CH3:10])[CH2:7][C:6]=4[C:11]=3[CH3:12])[CH2:26][CH2:25]2)[CH:21]=[CH:22][CH:23]=1
null
US08288390B2_1757
2,012
Br[c:12]1[c:13]([CH3:14])[c:15]2[c:16]([c:17]([O:18][CH3:19])[c:20]1[CH3:21])[O:22][CH:23]([CH3:24])[CH2:25]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:8]2[CH2:9][CH2:10][NH:11][CH2:26][CH2:27]2)[cH:28]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:8]2[CH2:9][CH2:10][N:11]([c:12]3[c:13]([CH3:14])[c:15]4[c:16]([c:17]([O:18][CH3:19])[c:20]3[CH3:21])[O:22][CH:23]([CH3:24])[CH2:25]4)[CH2:26][CH2:27]2)[cH:28]1
0.9292
COc1c(C)c(Br)c(C)c2c1OC(C)C2.COc1cccc(N2CCNCC2)c1>>COc1cccc(N2CCN(c3c(C)c4c(c(OC)c3C)OC(C)C4)CC2)c1
COc1c(C)c(Br)c(C)c2c1OC(C)C2.COc1cccc(N2CCNCC2)c1>>COc1cccc(N2CCN(c3c(C)c4c(c(OC)c3C)OC(C)C4)CC2)c1
US08288390B2_1757grants
9ffa1e114eb7a11c9e0c39d7cb0c6dd168d93d85aa00f3be2c9e9857
Br[c:12]1[c:13]([CH3:14])[c:15]2[c:16]([c:17]([O:18][CH3:19])[c:20]1[CH3:21])[O:22][CH:23]([CH3:24])[CH2:25]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:8]2[CH2:9][CH2:10][NH:11][CH2:26][CH2:27]2)[cH:28]1
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:8]2[CH2:9][CH2:10][N:11]([c:12]3[c:13]([CH3:14])[c:15]4[c:16]([c:17]([O:18][CH3:19])[c:20]3[CH3:21])[O:22][CH:23]([CH3:24])[CH2:25]4)[CH2:26][CH2:27]2)[cH:28]1
([C:4]-[N;H0;D3;+0:5](-[C:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
dd2fdbd233407626d24330af0096988c30d6471ee9a6e9d629c560da
0.5
2
null
294
12,270
61,291
100,190
[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH:10]1[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[C:12]([CH2:19][CH2:20][N:21]([CH3:26])[CH2:22][CH2:23][CH2:24][NH2:25])=[CH:11]1>CN(C)C=O>[C:1]1([NH:7][C:8]([NH:25][CH2:24][CH2:23][CH2:22][N:21]([CH2:20][CH2:19][C:12]2[C:13]3[C:18](=[CH:17][CH:16]=[CH:15][CH:14]=3)[NH:10][CH:11]=2)[CH3:26])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
null
US04350634_
1,982
CN(C)C=O.[C:7](=[O:8])=[N:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH2:6])[CH2:16][CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[NH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH2:16][CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12
0.925756
CN(C)C=O.CN(CCCN)CCc1c[nH]c2ccccc12.O=C=Nc1ccccc1>>CN(CCCNC(=O)Nc1ccccc1)CCc1c[nH]c2ccccc12
CN(C)C=O.CN(CCCN)CCc1c[nH]c2ccccc12.O=C=Nc1ccccc1>>CN(CCCNC(=O)Nc1ccccc1)CCc1c[nH]c2ccccc12
US04350634_grants
292161ebbdf4a19341a6751ca2e148ee1390839f2cc6096a2e5ff6bc
CN(C)C=O.[C:7](=[O:8])=[N:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH2:6])[CH2:16][CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12
[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[NH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH2:16][CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12
([C:1]-[NH;D2;+0:2]-[C;H0;D3;+0:4](=[O;D1;H0:3])-[NH;D2;+0:5]-[c:6])>>([C:1]-[NH2;D1;+0:2]).([O;D1;H0:3]=[C;H0;D2;+0:4]=[N;H0;D2;+0:5]-[c:6])
903dcfe32837886584264b39727a7d8d02d4dc88756525a4eb4912fd
1
1
CN(C)C=O
35
76,189
310,361
526,561
[Cl:1][C:2]1[CH:3]=[C:4]([CH:19]=[C:20]([Cl:22])[CH:21]=1)[O:5][CH2:6][CH2:7][N:8]1C(=O)C2C(=CC=CC=2)C1=O.O.NN.CCOCC.[OH-].[K+]>CO>[Cl:1][C:2]1[CH:3]=[C:4]([CH:19]=[C:20]([Cl:22])[CH:21]=1)[O:5][CH2:6][CH2:7][NH2:8]
|f:1.2,4.5|
US06288120B1_
2,001
CCOCC.CO.NN.O.O=C1c2ccccc2C(=O)[N:1]1[CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([Cl:8])[cH:9][c:10]([Cl:11])[cH:12]1.[K+].[OH-]>>[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([Cl:8])[cH:9][c:10]([Cl:11])[cH:12]1
0.897277
CCOCC.CO.NN~O.O=C1c2ccccc2C(=O)N1CCOc1cc(Cl)cc(Cl)c1.[K+]~[OH-]>>NCCOc1cc(Cl)cc(Cl)c1
CCOCC.CO.NN.O.O=C1c2ccccc2C(=O)N1CCOc1cc(Cl)cc(Cl)c1.[K+].[OH-]>>NCCOc1cc(Cl)cc(Cl)c1
US06288120B1_grants
25257dddef755eef9493781e01ad0a57cd278b3723c685c3c4ae692b
CCOCC.CO.NN.O.O=C1c2ccccc2C(=O)[N:1]1[CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([Cl:8])[cH:9][c:10]([Cl:11])[cH:12]1.[K+].[OH-]
[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([Cl:8])[cH:9][c:10]([Cl:11])[cH:12]1
([C:2]-[NH2;D1;+0:1])>>(O=C1-[N;H0;D3;+0:1](-[C:2])-C(=O)-c2:c:c:c:c:c:2-1)
7399a60fd7378a24dfa10a10ff432b29a0c80f1c6d7ac70d27cfe818
1
1
CCOCC.CO.NN.O.[K+].[OH-]
242
339,015
278,023
null
[CH3:1][O:2][C:3](=[O:33])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]2[CH:15]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=3[Cl:23])[N:13]=[C:12]2/[CH:24]=[CH:25]/[C:26]2[CH:31]=[CH:30][C:29](Br)=[CH:28][CH:27]=2)=[CH:6][CH:5]=1.B(O)(O)[C:35]1[CH:40]=[CH:39][C:38]([NH:41][C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])=[C:37]([O:49][CH3:50])[CH:36]=1>>[CH3:1][O:2][C:3](=[O:33])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]2[CH:15]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=3[Cl:23])[N:13]=[C:12]2/[CH:24]=[CH:25]/[C:26]2[CH:31]=[CH:30][C:29]([C:35]3[CH:40]=[CH:39][C:38]([NH:41][C:42]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:43])=[C:37]([O:49][CH3:50])[CH:36]=3)=[CH:28][CH:27]=2)=[CH:6][CH:5]=1
null
US20050187277A1_1250
2,005
Br[c:28]1[cH:27][cH:26][c:25](/[CH:24]=[CH:23]/[c:22]2[n:10]([CH2:9][c:8]3[cH:7][cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:48][cH:47]3)[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][c:19]3[Cl:20])[n:21]2)[cH:46][cH:45]1.OB(O)[c:29]1[cH:30][cH:31][c:32]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]([O:42][CH3:43])[cH:44]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][n:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][c:19]3[Cl:20])[n:21][c:22]2/[CH:23]=[CH:24]/[c:25]2[cH:26][cH:27][c:28](-[c:29]3[cH:30][cH:31][c:32]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]([O:42][CH3:43])[cH:44]3)[cH:45][cH:46]2)[cH:47][cH:48]1
0.350593
COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(Br)cc2)cc1.COc1cc(B(O)O)ccc1NC(=O)OC(C)(C)C>>COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)cc2)cc1
COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(Br)cc2)cc1.COc1cc(B(O)O)ccc1NC(=O)OC(C)(C)C>>COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)cc2)cc1
US20050187277A1_1250apps
1ab171c1e3db5dfc8eafbf5b08c6d7319a0405d389cf50558870c05f
Br[c:28]1[cH:27][cH:26][c:25](/[CH:24]=[CH:23]/[c:22]2[n:10]([CH2:9][c:8]3[cH:7][cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:48][cH:47]3)[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][c:19]3[Cl:20])[n:21]2)[cH:46][cH:45]1.OB(O)[c:29]1[cH:30][cH:31][c:32]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]([O:42][CH3:43])[cH:44]1
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][n:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][c:19]3[Cl:20])[n:21][c:22]2/[CH:23]=[CH:24]/[c:25]2[cH:26][cH:27][c:28](-[c:29]3[cH:30][cH:31][c:32]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]([O:42][CH3:43])[cH:44]3)[cH:45][cH:46]2)[cH:47][cH:48]1
([c:2]:[c;H0;D3;+0:1](:[c:3])-[c;H0;D3;+0:4](:[c:5]):[c:6])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[c;H0;D3;+0:4](:[c:5]):[c:6])
55251936defc26e51bebc585e4f1cda158e89f53686fa5d9c09591aa
0.5
2
null
837
46,770
204,823
331,329
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([C:12](=[O:42])[C:13]3[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:41])[C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[O:27][CH2:28][CH2:29][N:30]4C(=O)C5=CC=CC=C5C4=O)=[N:15][CH:14]=3)[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[CH:43]=1.O.NN.O.Cl>C(O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([C:12](=[O:42])[C:13]3[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:41])[C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[O:27][CH2:28][CH2:29][NH2:30])=[N:15][CH:14]=3)[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[CH:43]=1
|f:1.2|
US05498609_
1,996
CCO.Cl.NN.O.O.O=C1c2ccccc2C(=O)[N:1]1[CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][c:25]3[cH:26][c:27]([Cl:28])[cH:29][cH:30][c:31]32)[cH:32][n:33]1>>[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][c:25]3[cH:26][c:27]([Cl:28])[cH:29][cH:30][c:31]32)[cH:32][n:33]1
0.895649
CCO.Cl.NN~O.O.O=C(Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cn1)c1ccccc1OCCN1C(=O)c2ccccc2C1=O>>NCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cn1
CCO.Cl.NN.O.O.O=C(Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cn1)c1ccccc1OCCN1C(=O)c2ccccc2C1=O>>NCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cn1
US05498609_grants
b07f0048ef4b1f8e54b854520a9724a2cde6f6a67f3e95544525ceb1
CCO.Cl.NN.O.O.O=C1c2ccccc2C(=O)[N:1]1[CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][c:25]3[cH:26][c:27]([Cl:28])[cH:29][cH:30][c:31]32)[cH:32][n:33]1
[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][c:10]1[C:11](=[O:12])[NH:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][c:25]3[cH:26][c:27]([Cl:28])[cH:29][cH:30][c:31]32)[cH:32][n:33]1
([C:2]-[NH2;D1;+0:1])>>(O=C1-[N;H0;D3;+0:1](-[C:2])-C(=O)-c2:c:c:c:c:c:2-1)
7399a60fd7378a24dfa10a10ff432b29a0c80f1c6d7ac70d27cfe818
1
1
CCO.Cl.NN.O.O
242
80,298
324,719
550,304
C[O:2][C:3](=[O:26])/[C:4](/[C:13]1[CH:18]=[CH:17][C:16]([N:19]2[C:23]([CH3:24])=[N:22][N:21]=[N:20]2)=[C:15]([Cl:25])[CH:14]=1)=[CH:5]/[CH:6]1[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]1.[OH-].[Na+]>C(O)C>[Cl:25][C:15]1[CH:14]=[C:13](/[C:4](=[CH:5]\[CH:6]2[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]2)/[C:3]([OH:26])=[O:2])[CH:18]=[CH:17][C:16]=1[N:19]1[C:23]([CH3:24])=[N:22][N:21]=[N:20]1
|f:1.2|
US06369232B1_
2,002
CCO.C[O:22][C:20](/[C:11]([c:10]1[cH:9][cH:8][c:7](-[n:6]2[c:2]([CH3:1])[n:3][n:4][n:5]2)[c:24]([Cl:25])[cH:23]1)=[CH:12]/[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)=[O:21].[Na+].[OH-]>>[CH3:1][c:2]1[n:3][n:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10](/[C:11](=[CH:12]\[CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[C:20](=[O:21])[OH:22])[cH:23][c:24]1[Cl:25]
0.850501
CCO.COC(=O)/C(=C/C1CCCCCC1)c1ccc(-n2nnnc2C)c(Cl)c1.[Na+]~[OH-]>>Cc1nnnn1-c1ccc(/C(=C\C2CCCCCC2)C(=O)O)cc1Cl
CCO.COC(=O)/C(=C/C1CCCCCC1)c1ccc(-n2nnnc2C)c(Cl)c1.[Na+].[OH-]>>Cc1nnnn1-c1ccc(/C(=C\C2CCCCCC2)C(=O)O)cc1Cl
US06369232B1_grants
fab7c10cee5034cf6be48a51354637e6a93d0ab9e5f321d38ab5097e
CCO.C[O:22][C:20](/[C:11]([c:10]1[cH:9][cH:8][c:7](-[n:6]2[c:2]([CH3:1])[n:3][n:4][n:5]2)[c:24]([Cl:25])[cH:23]1)=[CH:12]/[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)=[O:21].[Na+].[OH-]
[CH3:1][c:2]1[n:3][n:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10](/[C:11](=[CH:12]\[CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[C:20](=[O:21])[OH:22])[cH:23][c:24]1[Cl:25]
([C:5]=[C:4]/[C:2](=[O;D1;H0:3])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])\[C:4]=[C:5])
16a2ddd09077ae8eee575ab66345f00875cebad2569c46d80e48757f
1
1
CCO.[Na+].[OH-]
58
339,620
291,017
null
C(O)(=O)C.[CH3:5][O:6][C:7](=[O:22])[CH2:8][C:9]1[CH:14]=[C:13]([C:15]([F:18])([F:17])[F:16])[CH:12]=[C:11]([N+:19]([O-])=O)[CH:10]=1>[Fe].O>[CH3:5][O:6][C:7](=[O:22])[CH2:8][C:9]1[CH:14]=[C:13]([C:15]([F:16])([F:18])[F:17])[CH:12]=[C:11]([NH2:19])[CH:10]=1
null
US20050234046A1_0918
2,005
CC(=O)O.O.O=[N+:9]([O-])[c:8]1[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:16][c:11]([C:12]([F:13])([F:14])[F:15])[cH:10]1.[Fe]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([NH2:9])[cH:10][c:11]([C:12]([F:13])([F:14])[F:15])[cH:16]1
0.280838
CC(=O)O.COC(=O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1.O.[Fe]>>COC(=O)Cc1cc(N)cc(C(F)(F)F)c1
CC(=O)O.COC(=O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1.O.[Fe]>>COC(=O)Cc1cc(N)cc(C(F)(F)F)c1
US20050234046A1_0918apps
4a10e986e76e274bf70965fcedd85f8609f3a7157122b6d6fb8dc81d
CC(=O)O.O.O=[N+:9]([O-])[c:8]1[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:16][c:11]([C:12]([F:13])([F:14])[F:15])[cH:10]1.[Fe]
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([NH2:9])[cH:10][c:11]([C:12]([F:13])([F:14])[F:15])[cH:16]1
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
1
1
CC(=O)O.O.[Fe]
1
191,642
660,045
1,092,571
[F:1][C:2]([F:26])([F:25])[C:3]1[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[CH:17][C:4]=1[CH2:5][O:6][C:7]1[CH:14]=[CH:13][C:10]([CH:11]=O)=[CH:9][C:8]=1[O:15][CH3:16].[S:27]1[CH2:33][C:31](=[O:32])[NH:30][C:28]1=[S:29].CCO>CCOC(C)=O>[F:1][C:2]([F:25])([F:26])[C:3]1[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[CH:17][C:4]=1[CH2:5][O:6][C:7]1[CH:14]=[CH:13][C:10]([CH:11]=[C:33]2[S:27][C:28](=[S:29])[NH:30][C:31]2=[O:32])=[CH:9][C:8]=1[O:15][CH3:16]
null
US07977489B2_0191
2,011
CCO.CCOC(C)=O.O=[CH:6][c:5]1[cH:4][c:3]([O:2][CH3:1])[c:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[cH:27][c:28]2[C:29]([F:30])([F:31])[F:32])[cH:15][cH:14]1.[CH2:7]1[S:8][C:9](=[S:10])[NH:11][C:12]1=[O:13]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:7]2[S:8][C:9](=[S:10])[NH:11][C:12]2=[O:13])[cH:14][cH:15][c:16]1[O:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[cH:27][c:28]1[C:29]([F:30])([F:31])[F:32]
0.103678
CCO.CCOC(C)=O.COc1cc(C=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F.O=C1CSC(=S)N1>>COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
CCO.CCOC(C)=O.COc1cc(C=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F.O=C1CSC(=S)N1>>COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
US07977489B2_0191grants
8009cefc7f9b34d3feed88e9ca0e2bef4b8c5e729fc0180923e4362b
CCO.CCOC(C)=O.O=[CH:6][c:5]1[cH:4][c:3]([O:2][CH3:1])[c:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[cH:27][c:28]2[C:29]([F:30])([F:31])[F:32])[cH:15][cH:14]1.[CH2:7]1[S:8][C:9](=[S:10])[NH:11][C:12]1=[O:13]
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:7]2[S:8][C:9](=[S:10])[NH:11][C:12]2=[O:13])[cH:14][cH:15][c:16]1[O:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[cH:27][c:28]1[C:29]([F:30])([F:31])[F:32]
([#16:3]-[C;H0;D3;+0:4](=[CH;D2;+0:1]-[c:2])-[C:5](-[#7:6])=[O;D1;H0:7])>>(O=[CH;D2;+0:1]-[c:2]).([#16:3]-[CH2;D2;+0:4]-[C:5](-[#7:6])=[O;D1;H0:7])
83f70920a1e937c75576f3e0a1facb685b2d94c156918b2c282587af
1
1
CCO.CCOC(C)=O
314
227,007
760,487
1,252,564
[CH3:1][CH:2]([SH:4])[CH3:3].C(=O)([O-])[O-].[K+].[K+].CN(C)C=O.[Cl:16][C:17]1[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[C:19](F)[CH:18]=1>O>[Cl:16][C:17]1[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[C:19]([S:4][CH:2]([CH3:3])[CH3:1])[CH:18]=1
|f:1.2.3|
US08318702B2_0527
2,012
CN(C)C=O.F[c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][c:11]1[N+:12](=[O:13])[O-:14].O.O=C([O-])[O-].[CH3:1][CH:2]([CH3:3])[SH:4].[K+].[K+]>>[CH3:1][CH:2]([CH3:3])[S:4][c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][c:11]1[N+:12](=[O:13])[O-:14]
0.917156
CC(C)S.CN(C)C=O.O.O=C([O-])[O-]~[K+]~[K+].O=[N+]([O-])c1ccc(Cl)cc1F>>CC(C)Sc1cc(Cl)ccc1[N+](=O)[O-]
CC(C)S.CN(C)C=O.O.O=C([O-])[O-].O=[N+]([O-])c1ccc(Cl)cc1F.[K+].[K+]>>CC(C)Sc1cc(Cl)ccc1[N+](=O)[O-]
US08318702B2_0527grants
ac9e5862487774656c575100cb0546e2a65398bde7ec26cd7bc1c02a
CN(C)C=O.F[c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][c:11]1[N+:12](=[O:13])[O-:14].O.O=C([O-])[O-].[CH3:1][CH:2]([CH3:3])[SH:4].[K+].[K+]
[CH3:1][CH:2]([CH3:3])[S:4][c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][c:11]1[N+:12](=[O:13])[O-:14]
([C:4]-[S;H0;D2;+0:5]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(F-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[SH;D1;+0:5])
d34413d549bac0a76470269d53b823119a6b48ff5574636df4cb6c3e
1
1
CN(C)C=O.O.O=C([O-])[O-].[K+].[K+]
503
134,967
490,197
825,752
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8](Cl)=[O:9])[CH2:4][CH2:3]1.[CH3:11][CH:12]([CH3:30])[CH2:13][CH2:14][NH:15][C:16]([C:18]1[N:19]=[N:20][C:21]([N:24]2[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)=[CH:22][CH:23]=1)=[O:17]>>[CH3:11][CH:12]([CH3:30])[CH2:13][CH2:14][NH:15][C:16]([C:18]1[N:19]=[N:20][C:21]([N:24]2[CH2:29][CH2:28][N:27]([C:8]([N:5]3[CH2:6][CH2:7][N:2]([CH3:1])[CH2:3][CH2:4]3)=[O:9])[CH2:26][CH2:25]2)=[CH:22][CH:23]=1)=[O:17]
null
US07335658B2_0386
2,008
Cl[C:17](=[O:18])[N:19]1[CH2:20][CH2:21][N:22]([CH3:23])[CH2:24][CH2:25]1.[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N:13]2[CH2:14][CH2:15][NH:16][CH2:26][CH2:27]2)[n:28][n:29]1>>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N:13]2[CH2:14][CH2:15][N:16]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([CH3:23])[CH2:24][CH2:25]3)[CH2:26][CH2:27]2)[n:28][n:29]1
0.749798
CC(C)CCNC(=O)c1ccc(N2CCNCC2)nn1.CN1CCN(C(=O)Cl)CC1>>CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)N3CCN(C)CC3)CC2)nn1
CC(C)CCNC(=O)c1ccc(N2CCNCC2)nn1.CN1CCN(C(=O)Cl)CC1>>CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)N3CCN(C)CC3)CC2)nn1
US07335658B2_0386grants
df0fd6a03d1b0e7cae8e6425724785a493fb6419c59d2f44f3402041
Cl[C:17](=[O:18])[N:19]1[CH2:20][CH2:21][N:22]([CH3:23])[CH2:24][CH2:25]1.[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N:13]2[CH2:14][CH2:15][NH:16][CH2:26][CH2:27]2)[n:28][n:29]1
[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N:13]2[CH2:14][CH2:15][N:16]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([CH3:23])[CH2:24][CH2:25]3)[CH2:26][CH2:27]2)[n:28][n:29]1
([#7:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(Cl-[C;H0;D3;+0:1](-[#7:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
c2169766ebce39a0c366e25a87d583fbc266d9b01c5addad15fcc2cc
0.5
2
null
258
232,315
776,458
1,281,056
[F:1][C:2]1[CH:10]=[C:9]2[C:5](/[C:6](=[C:12]3/[CH:13]=[C:14]([C:19]4[CH:27]=[CH:26][C:22]([C:23]([OH:25])=O)=[CH:21][CH:20]=4)[C:15]([CH3:18])([CH3:17])[O:16]/3)/[C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1.[OH:28][CH:29]1[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C>CN(C=O)C.O>[F:1][C:2]1[CH:10]=[C:9]2[C:5](/[C:6](=[C:12]3\[O:16][C:15]([CH3:17])([CH3:18])[C:14]([C:19]4[CH:27]=[CH:26][C:22]([C:23]([N:32]5[CH2:33][CH2:34][CH:29]([OH:28])[CH2:30][CH2:31]5)=[O:25])=[CH:21][CH:20]=4)=[CH:13]\3)/[C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1
|f:2.3|
US08367664B2_0200
2,013
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:23]([c:22]1[cH:21][cH:20][c:19]([C:18]2=[CH:17]/[C:5](=[C:6]3\[C:7](=[O:8])[NH:9][c:10]4[cH:11][c:12]([F:13])[cH:14][cH:15][c:16]43)[O:4][C:2]2([CH3:1])[CH3:3])[cH:33][cH:32]1)=[O:24].[NH:25]1[CH2:26][CH2:27][CH:28]([OH:29])[CH2:30][CH2:31]1>>[CH3:1][C:2]1([CH3:3])[O:4]/[C:5](=[C:6]2/[C:7](=[O:8])[NH:9][c:10]3[cH:11][c:12]([F:13])[cH:14][cH:15][c:16]32)[CH:17]=[C:18]1[c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[N:25]2[CH2:26][CH2:27][CH:28]([OH:29])[CH2:30][CH2:31]2)[cH:32][cH:33]1
0.787954
CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)O)cc1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O.OC1CCNCC1>>CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)N2CCC(O)CC2)cc1
CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)O)cc1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.OC1CCNCC1>>CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C(=O)N2CCC(O)CC2)cc1
US08367664B2_0200grants
2ea63bf40219e501470991f34b0073eb01a80e66b52e9d89d754f40a
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:23]([c:22]1[cH:21][cH:20][c:19]([C:18]2=[CH:17]/[C:5](=[C:6]3\[C:7](=[O:8])[NH:9][c:10]4[cH:11][c:12]([F:13])[cH:14][cH:15][c:16]43)[O:4][C:2]2([CH3:1])[CH3:3])[cH:33][cH:32]1)=[O:24].[NH:25]1[CH2:26][CH2:27][CH:28]([OH:29])[CH2:30][CH2:31]1
[CH3:1][C:2]1([CH3:3])[O:4]/[C:5](=[C:6]2/[C:7](=[O:8])[NH:9][c:10]3[cH:11][c:12]([F:13])[cH:14][cH:15][c:16]32)[CH:17]=[C:18]1[c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[N:25]2[CH2:26][CH2:27][CH:28]([OH:29])[CH2:30][CH2:31]2)[cH:32][cH:33]1
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
11438d3fa968bbd8c4f3372ffee303c561281eed4a1be36b1ce3c5b0
1
1
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O
44
224,879
754,224
1,242,793
C[O:2][C:3]([C:5]1[CH:6]=[N:7][N:8]([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=2)[C:9]=1[CH2:10][O:11][CH3:12])=[O:4].[OH-].[Li+]>O.CO.C1COCC1>[Cl:19][C:16]1[CH:15]=[CH:14][C:13]([N:8]2[C:9]([CH2:10][O:11][CH3:12])=[C:5]([C:3]([OH:4])=[O:2])[CH:6]=[N:7]2)=[CH:18][CH:17]=1
|f:1.2,3.4.5|
US08293917B2_0096
2,012
C1CCOC1.CO.C[O:8][C:6]([c:5]1[c:4]([CH2:3][O:2][CH3:1])[n:11](-[c:12]2[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]2)[n:10][cH:9]1)=[O:7].O.[Li+].[OH-]>>[CH3:1][O:2][CH2:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][n:10][n:11]1-[c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]1
0.925734
C1CCOC1~CO~O.COCc1c(C(=O)OC)cnn1-c1ccc(Cl)cc1.[Li+]~[OH-]>>COCc1c(C(=O)O)cnn1-c1ccc(Cl)cc1
C1CCOC1.CO.COCc1c(C(=O)OC)cnn1-c1ccc(Cl)cc1.O.[Li+].[OH-]>>COCc1c(C(=O)O)cnn1-c1ccc(Cl)cc1
US08293917B2_0096grants
15250880250b002338c031772fbeac3c7a5a99c1f5ccba5ea3b298b9
C1CCOC1.CO.C[O:8][C:6]([c:5]1[c:4]([CH2:3][O:2][CH3:1])[n:11](-[c:12]2[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]2)[n:10][cH:9]1)=[O:7].O.[Li+].[OH-]
[CH3:1][O:2][CH2:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][n:10][n:11]1-[c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]1
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4])>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4])
b499e0b68ab8cc89df665c73ba592c6e17427fbd5b75a0a04b8fb5db
1
1
C1CCOC1.CO.O.[Li+].[OH-]
152
360,247
624,735
null
[F:1][C:2]1[CH:10]=[C:9]([N:11]2[C:19]3[CH2:18][C:17]([CH3:21])([CH3:20])[CH2:16][C:15](=[O:22])[C:14]=3[C:13]([CH3:23])=[CH:12]2)[CH:8]=[C:7]([NH:24][C@H:25]2[CH2:29][CH2:28][CH2:27][C@@H:26]2[OH:30])[C:3]=1[C:4]([NH2:6])=[O:5].[C:31]([NH:38][CH2:39][C:40](O)=[O:41])([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32].C(Cl)CCl>CN(C1C=CN=CC=1)C.ClCCl>[C:34]([O:33][C:31]([NH:38][CH2:39][C:40]([O:30][C@H:26]1[CH2:27][CH2:28][CH2:29][C@@H:25]1[NH:24][C:7]1[CH:8]=[C:9]([N:11]2[C:19]3[CH2:18][C:17]([CH3:21])([CH3:20])[CH2:16][C:15](=[O:22])[C:14]=3[C:13]([CH3:23])=[CH:12]2)[CH:10]=[C:2]([F:1])[C:3]=1[C:4](=[O:5])[NH2:6])=[O:41])=[O:32])([CH3:37])([CH3:36])[CH3:35]
null
US20080269193A1_0617
2,008
CN(C)c1ccncc1.ClCCCl.ClCCl.O[C:21](=[O:22])[CH2:23][NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[CH3:1][c:2]1[cH:3][n:4](-[c:5]2[cH:6][c:7]([F:8])[c:9]([C:10]([NH2:11])=[O:12])[c:13]([NH:14][C@H:15]3[CH2:16][CH2:17][CH2:18][C@@H:19]3[OH:20])[cH:32]2)[c:33]2[c:34]1[C:35](=[O:36])[CH2:37][C:38]([CH3:39])([CH3:40])[CH2:41]2>>[CH3:1][c:2]1[cH:3][n:4](-[c:5]2[cH:6][c:7]([F:8])[c:9]([C:10]([NH2:11])=[O:12])[c:13]([NH:14][C@H:15]3[CH2:16][CH2:17][CH2:18][C@@H:19]3[O:20][C:21](=[O:22])[CH2:23][NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32]2)[c:33]2[c:34]1[C:35](=[O:36])[CH2:37][C:38]([CH3:39])([CH3:40])[CH2:41]2
0.274695
CC(C)(C)OC(=O)NCC(=O)O.CN(C)c1ccncc1.Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCC[C@@H]3O)c2)c2c1C(=O)CC(C)(C)C2.ClCCCl.ClCCl>>Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCC[C@@H]3OC(=O)CNC(=O)OC(C)(C)C)c2)c2c1C(=O)CC(C)(C)C2
CC(C)(C)OC(=O)NCC(=O)O.CN(C)c1ccncc1.Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCC[C@@H]3O)c2)c2c1C(=O)CC(C)(C)C2.ClCCCl.ClCCl>>Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCC[C@@H]3OC(=O)CNC(=O)OC(C)(C)C)c2)c2c1C(=O)CC(C)(C)C2
US20080269193A1_0617apps
de1154d766681a219b02690d36ddad609692a951fecb1f887976452e
CN(C)c1ccncc1.ClCCCl.ClCCl.O[C:21](=[O:22])[CH2:23][NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[CH3:1][c:2]1[cH:3][n:4](-[c:5]2[cH:6][c:7]([F:8])[c:9]([C:10]([NH2:11])=[O:12])[c:13]([NH:14][C@H:15]3[CH2:16][CH2:17][CH2:18][C@@H:19]3[OH:20])[cH:32]2)[c:33]2[c:34]1[C:35](=[O:36])[CH2:37][C:38]([CH3:39])([CH3:40])[CH2:41]2
[CH3:1][c:2]1[cH:3][n:4](-[c:5]2[cH:6][c:7]([F:8])[c:9]([C:10]([NH2:11])=[O:12])[c:13]([NH:14][C@H:15]3[CH2:16][CH2:17][CH2:18][C@@H:19]3[O:20][C:21](=[O:22])[CH2:23][NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32]2)[c:33]2[c:34]1[C:35](=[O:36])[CH2:37][C:38]([CH3:39])([CH3:40])[CH2:41]2
([C:4]-[O;H0;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[OH;D1;+0:5])
a6871142fd86a88cf89e8dce15586c0c2325bd32f2c5592778c4dcb1
1
1
CN(C)c1ccncc1.ClCCCl.ClCCl
17
394,675
1,248,299
null
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([S:14](Cl)(=[O:16])=[O:15])[CH:9]=2)=[CH:4][CH:3]=1.[NH2:18][C:19]1[CH:20]=[C:21]([NH:25][C:26]([NH:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[O:27])[CH:22]=[CH:23][CH:24]=1.N1C=CC=CC=1>C(Cl)Cl>[C:29]1([NH:28][C:26](=[O:27])[NH:25][C:21]2[CH:20]=[C:19]([NH:18][S:14]([C:10]3[CH:9]=[C:8]([C:5]4[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=4)[CH:13]=[CH:12][CH:11]=3)(=[O:16])=[O:15])[CH:24]=[CH:23][CH:22]=2)[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1
null
US20120196884A1_0682
2,012
ClCCl.Cl[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][cH:23][c:24](-[c:25]2[cH:26][cH:27][c:28]([F:29])[cH:30][cH:31]2)[cH:32]1.[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([NH2:16])[cH:33]1.c1ccncc1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([NH:16][S:17](=[O:18])(=[O:19])[c:20]2[cH:21][cH:22][cH:23][c:24](-[c:25]3[cH:26][cH:27][c:28]([F:29])[cH:30][cH:31]3)[cH:32]2)[cH:33]1
0.561049
ClCCl.Nc1cccc(NC(=O)Nc2ccccc2)c1.O=S(=O)(Cl)c1cccc(-c2ccc(F)cc2)c1.c1ccncc1>>O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)c1
ClCCl.Nc1cccc(NC(=O)Nc2ccccc2)c1.O=S(=O)(Cl)c1cccc(-c2ccc(F)cc2)c1.c1ccncc1>>O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)c1
US20120196884A1_0682apps
bf29273219cbaaf0a40ae35d56f82b9f30f1f38a5aed35805c3365f8
ClCCl.Cl[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][cH:23][c:24](-[c:25]2[cH:26][cH:27][c:28]([F:29])[cH:30][cH:31]2)[cH:32]1.[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([NH2:16])[cH:33]1.c1ccncc1
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([NH:16][S:17](=[O:18])(=[O:19])[c:20]2[cH:21][cH:22][cH:23][c:24](-[c:25]3[cH:26][cH:27][c:28]([F:29])[cH:30][cH:31]3)[cH:32]2)[cH:33]1
([O;D1;H0:2]=[S;H0;D4;+0:1](=[O;D1;H0:3])(-[c:4])-[NH;D2;+0:5]-[c:6])>>(Cl-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[c:4]).([NH2;D1;+0:5]-[c:6])
5e78a661181f8271dd0d21f0efa96b7d75105c87fa022f79effe5902
1
1
ClCCl.c1ccncc1
68
95,267
370,824
632,918
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:21]=[CH:20][C:13]([O:14][CH2:15][C:16]([O:18]C)=[O:17])=[CH:12][CH:11]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].C(OC(NCC1C=C(CCC(O)=O)C=CC=1)=O)(C)(C)C>O1CCCC1>[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[CH:12][C:13]([O:14][CH2:15][C:16]([OH:18])=[O:17])=[CH:20][CH:21]=1)=[O:7])([CH3:4])([CH3:2])[CH3:3]
|f:1.2|
US06673786B1_
2,004
C1CCOC1.CC(C)(C)OC(=O)NCc1cccc(CCC(=O)O)c1.C[O:18][C:16]([CH2:15][O:14][c:13]1[cH:12][cH:11][c:10]([CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[cH:20][cH:19]1)=[O:17].[Na+].[OH-]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]1
0.263284
C1CCOC1.CC(C)(C)OC(=O)NCc1cccc(CCC(=O)O)c1.COC(=O)COc1ccc(CNC(=O)OC(C)(C)C)cc1.[Na+]~[OH-]>>CC(C)(C)OC(=O)NCc1ccc(OCC(=O)O)cc1
C1CCOC1.CC(C)(C)OC(=O)NCc1cccc(CCC(=O)O)c1.COC(=O)COc1ccc(CNC(=O)OC(C)(C)C)cc1.[Na+].[OH-]>>CC(C)(C)OC(=O)NCc1ccc(OCC(=O)O)cc1
US06673786B1_grants
e32d22ada4c60d61aeecb7cf696c7b5d2ebc4b0f529770b645b07909
C1CCOC1.CC(C)(C)OC(=O)NCc1cccc(CCC(=O)O)c1.C[O:18][C:16]([CH2:15][O:14][c:13]1[cH:12][cH:11][c:10]([CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[cH:20][cH:19]1)=[O:17].[Na+].[OH-]
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]1
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
0a02d2d47df007d05d29f7b852c5bfe9dcbd7a32224d027cc636bd27
1
1
C1CCOC1.CC(C)(C)OC(=O)NCc1cccc(CCC(=O)O)c1.[Na+].[OH-]
88
188,653
650,596
1,075,515
[F:1][C:2]([F:36])([F:35])[C:3]1[CH:4]=[C:5]([C:13]([CH3:34])([CH3:33])[C:14]([N:16]([C:18]2[CH:19]=[N:20][C:21](Cl)=[CH:22][C:23]=2[C:24]2[CH:29]=[CH:28][C:27]([F:30])=[CH:26][C:25]=2[CH3:31])[CH3:17])=[O:15])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[OH:37][CH2:38][CH:39]1[CH2:44][CH2:43][NH:42][CH2:41][CH2:40]1.[Cl-].[Li+].C(=O)([O-])[O-].[K+].[K+]>CS(C)=O.O>[F:1][C:2]([F:36])([F:35])[C:3]1[CH:4]=[C:5]([C:13]([CH3:34])([CH3:33])[C:14]([N:16]([C:18]2[C:23]([C:24]3[CH:29]=[CH:28][C:27]([F:30])=[CH:26][C:25]=3[CH3:31])=[CH:22][C:21]([N:42]3[CH2:43][CH2:44][CH:39]([CH2:38][OH:37])[CH2:40][CH2:41]3)=[N:20][CH:19]=2)[CH3:17])=[O:15])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1
|f:2.3,4.5.6|
US07939533B2_2286
2,011
CS(C)=O.Cl[c:11]1[cH:10][c:9](-[c:8]2[c:2]([CH3:1])[cH:3][c:4]([F:5])[cH:6][cH:7]2)[c:22]([N:23]([CH3:24])[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[c:30]2[cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43]2)[cH:21][n:20]1.O.O=C([O-])[O-].[Cl-].[K+].[K+].[Li+].[NH:12]1[CH2:13][CH2:14][CH:15]([CH2:16][OH:17])[CH2:18][CH2:19]1>>[CH3:1][c:2]1[cH:3][c:4]([F:5])[cH:6][cH:7][c:8]1-[c:9]1[cH:10][c:11]([N:12]2[CH2:13][CH2:14][CH:15]([CH2:16][OH:17])[CH2:18][CH2:19]2)[n:20][cH:21][c:22]1[N:23]([CH3:24])[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[c:30]1[cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43]1
0.047872
CS(C)=O.Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O.O=C([O-])[O-]~[K+]~[K+].OCC1CCNCC1.[Cl-]~[Li+]>>Cc1cc(F)ccc1-c1cc(N2CCC(CO)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
CS(C)=O.Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O.O=C([O-])[O-].OCC1CCNCC1.[Cl-].[K+].[K+].[Li+]>>Cc1cc(F)ccc1-c1cc(N2CCC(CO)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
US07939533B2_2286grants
733f6da92bec14c858b7961d28c3767f239861c1099a2e76c09467f8
CS(C)=O.Cl[c:11]1[cH:10][c:9](-[c:8]2[c:2]([CH3:1])[cH:3][c:4]([F:5])[cH:6][cH:7]2)[c:22]([N:23]([CH3:24])[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[c:30]2[cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43]2)[cH:21][n:20]1.O.O=C([O-])[O-].[Cl-].[K+].[K+].[Li+].[NH:12]1[CH2:13][CH2:14][CH:15]([CH2:16][OH:17])[CH2:18][CH2:19]1
[CH3:1][c:2]1[cH:3][c:4]([F:5])[cH:6][cH:7][c:8]1-[c:9]1[cH:10][c:11]([N:12]2[CH2:13][CH2:14][CH:15]([CH2:16][OH:17])[CH2:18][CH2:19]2)[n:20][cH:21][c:22]1[N:23]([CH3:24])[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[c:30]1[cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43]1
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
d775cf39c89817610201eb77d7f2c05750999ab6870ec4bcf35a0a78
1
1
CS(C)=O.O.O=C([O-])[O-].[Cl-].[K+].[K+].[Li+]
220
357,379
586,540
null
S(Cl)([Cl:3])=O.CN(C)C=O.[Cl:10][C:11]1[CH:19]=[C:18]([N:20]2[CH:24]=[CH:23][CH:22]=[N:21]2)[CH:17]=[CH:16][C:12]=1[C:13](O)=[O:14]>ClCCl>[Cl:10][C:11]1[CH:19]=[C:18]([N:20]2[CH:24]=[CH:23][CH:22]=[N:21]2)[CH:17]=[CH:16][C:12]=1[C:13]([Cl:3])=[O:14]
null
US20080161294A1_0310
2,008
CN(C)C=O.ClCCl.O=S(Cl)[Cl:3].O[C:2](=[O:1])[c:4]1[cH:5][cH:6][c:7](-[n:8]2[cH:9][cH:10][cH:11][n:12]2)[cH:13][c:14]1[Cl:15]>>[O:1]=[C:2]([Cl:3])[c:4]1[cH:5][cH:6][c:7](-[n:8]2[cH:9][cH:10][cH:11][n:12]2)[cH:13][c:14]1[Cl:15]
0.509514
CN(C)C=O.ClCCl.O=C(O)c1ccc(-n2cccn2)cc1Cl.O=S(Cl)Cl>>O=C(Cl)c1ccc(-n2cccn2)cc1Cl
CN(C)C=O.ClCCl.O=C(O)c1ccc(-n2cccn2)cc1Cl.O=S(Cl)Cl>>O=C(Cl)c1ccc(-n2cccn2)cc1Cl
US20080161294A1_0310apps
b055418040fe177ddc054f67b606a171322df2d54c53b4adf36e1bfe
CN(C)C=O.ClCCl.O=S(Cl)[Cl:3].O[C:2](=[O:1])[c:4]1[cH:5][cH:6][c:7](-[n:8]2[cH:9][cH:10][cH:11][n:12]2)[cH:13][c:14]1[Cl:15]
[O:1]=[C:2]([Cl:3])[c:4]1[cH:5][cH:6][c:7](-[n:8]2[cH:9][cH:10][cH:11][n:12]2)[cH:13][c:14]1[Cl:15]
([Cl;H0;D1;+0:1]-[C;H0;D3;+0:2](=[O;D1;H0:3])-[c:4])>>(Cl-S(=O)-[Cl;H0;D1;+0:1]).(O-[C;H0;D3;+0:2](=[O;D1;H0:3])-[c:4])
b71280db4b70d661700213321895a7af48fe382569269c0e754a4f84
1
1
CN(C)C=O.ClCCl
3
394,807
1,249,707
null
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([NH:12][C:13]3[CH:14]=[C:15]4[C:19](=[CH:20][CH:21]=3)[NH:18][CH:17]=[CH:16]4)=[N:7][CH:8]=[N:9]2)=[CH:4][C:3]=1[O:22][CH3:23].[CH3:24][O:25][CH2:26][CH2:27][N:28]([CH2:30][CH2:31]O)[CH3:29]>>[NH:18]1[C:19]2[C:15](=[CH:14][C:13]([NH:12][C:6]3[C:5]4[C:10](=[CH:11][C:2]([O:1][CH2:31][CH2:30][N:28]([CH2:27][CH2:26][O:25][CH3:24])[CH3:29])=[C:3]([O:22][CH3:23])[CH:4]=4)[N:9]=[CH:8][N:7]=3)=[CH:21][CH:20]=2)[CH:16]=[CH:17]1
null
US20120197027A1_1294
2,012
O[CH2:8][CH2:7][N:5]([CH2:4][CH2:3][O:2][CH3:1])[CH3:6].[OH:9][c:10]1[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[cH:19][cH:20][c:21]4[nH:22][cH:23][cH:24][c:25]4[cH:26]3)[c:27]2[cH:28][c:29]1[O:30][CH3:31]>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH3:6])[CH2:7][CH2:8][O:9][c:10]1[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[cH:19][cH:20][c:21]4[nH:22][cH:23][cH:24][c:25]4[cH:26]3)[c:27]2[cH:28][c:29]1[O:30][CH3:31]
0.568173
COCCN(C)CCO.COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1O>>COCCN(C)CCOc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1OC
COCCN(C)CCO.COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1O>>COCCN(C)CCOc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1OC
US20120197027A1_1294apps
fe47363e6fdb3071208601c190d8fa632ab28c15f68fd59b618a3f5f
O[CH2:8][CH2:7][N:5]([CH2:4][CH2:3][O:2][CH3:1])[CH3:6].[OH:9][c:10]1[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[cH:19][cH:20][c:21]4[nH:22][cH:23][cH:24][c:25]4[cH:26]3)[c:27]2[cH:28][c:29]1[O:30][CH3:31]
[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH3:6])[CH2:7][CH2:8][O:9][c:10]1[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[cH:19][cH:20][c:21]4[nH:22][cH:23][cH:24][c:25]4[cH:26]3)[c:27]2[cH:28][c:29]1[O:30][CH3:31]
([C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-[c:4])>>(O-[CH2;D2;+0:1]-[C:2]).([OH;D1;+0:3]-[c:4])
6b5437625f42979eb76da5582165cd62b5dfeb41d76ac0fbed0bf4a3
1
1
null
478
22,275
106,096
171,688
[CH3:1][S:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][OH:11])=[CH:5][CH:4]=1.[Br:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]Br.[OH-].[Na+]>O>[Br:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][O:11][CH2:10][CH2:9][C:6]1[CH:7]=[CH:8][C:3]([S:2][CH3:1])=[CH:4][CH:5]=1
|f:2.3|
US04730008_
1,988
Br[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][Br:15].O.[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][OH:9])[cH:16][cH:17]1.[Na+].[OH-]>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][Br:15])[cH:16][cH:17]1
0.797121
BrCCCCCBr.CSc1ccc(CCO)cc1.O.[Na+]~[OH-]>>CSc1ccc(CCOCCCCCBr)cc1
BrCCCCCBr.CSc1ccc(CCO)cc1.O.[Na+].[OH-]>>CSc1ccc(CCOCCCCCBr)cc1
US04730008_grants
5c523fd93029bf89895d3c900cdf28e895cb103756adab89d9363c7d
Br[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][Br:15].O.[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][OH:9])[cH:16][cH:17]1.[Na+].[OH-]
[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][Br:15])[cH:16][cH:17]1
([C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:4]-[C:3])>>(Br-[CH2;D2;+0:1]-[C:2]).([C:3]-[OH;D1;+0:4])
a4c3d230363503c3cdd0e8b3bb15c888472ef0fddbf2cfc06e03712b
0.5
2
O.[Na+].[OH-]
95
387,000
1,056,522
null
[F:1][C:2]([F:17])([F:16])[C:3]1[C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[N:5]([CH2:12][C:13]([OH:15])=O)[N:4]=1.CN(C=O)C.[CH3:23][O:24][C:25]1[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:34])[F:33])=[CH:28][C:26]=1[NH2:27].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>>[CH3:23][O:24][C:25]1[CH:31]=[CH:30][C:29]([C:32]([F:33])([F:35])[F:34])=[CH:28][C:26]=1[NH:27][C:13](=[O:15])[CH2:12][N:5]1[C:6]2[CH2:7][CH2:8][CH2:9][CH2:10][C:11]=2[C:3]([C:2]([F:1])([F:17])[F:16])=[N:4]1
|f:3.4|
US20110118236A1_2808
2,011
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O[C:14](=[O:15])[CH2:16][n:17]1[n:18][c:19]([C:20]([F:21])([F:22])[F:23])[c:24]2[c:25]1[CH2:26][CH2:27][CH2:28][CH2:29]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][c:12]1[NH2:13]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][c:12]1[NH:13][C:14](=[O:15])[CH2:16][n:17]1[n:18][c:19]([C:20]([F:21])([F:22])[F:23])[c:24]2[c:25]1[CH2:26][CH2:27][CH2:28][CH2:29]2
0.097432
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.COc1ccc(C(F)(F)F)cc1N.O=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2>>COc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.COc1ccc(C(F)(F)F)cc1N.F[P-](F)(F)(F)(F)F.O=C(O)Cn1nc(C(F)(F)F)c2c1CCCC2>>COc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
US20110118236A1_2808apps
455dc8bd71a918ac268a214f9c7668d745e013ba4d4677097f2be515
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O[C:14](=[O:15])[CH2:16][n:17]1[n:18][c:19]([C:20]([F:21])([F:22])[F:23])[c:24]2[c:25]1[CH2:26][CH2:27][CH2:28][CH2:29]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][c:12]1[NH2:13]
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][c:12]1[NH:13][C:14](=[O:15])[CH2:16][n:17]1[n:18][c:19]([C:20]([F:21])([F:22])[F:23])[c:24]2[c:25]1[CH2:26][CH2:27][CH2:28][CH2:29]2
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH2;D1;+0:4]-[c:5])
993a80a34f6acdc22e1630fbdadc440460d93877c75dd17e7db680f0
1
1
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F
365
54,232
233,837
391,483
[CH2:1]([C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:21]=[CH:20][C:19]3[C:14](=[CH:15][CH:16]=[C:17]([O:22]C)[CH:18]=3)[N:13]=2)=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH2:4][CH3:5].C(O)(=O)C.Br>CCCCCC>[CH2:1]([C:6]1[CH:7]=[CH:8][C:9]([C:12]2[CH:21]=[CH:20][C:19]3[C:14](=[CH:15][CH:16]=[C:17]([OH:22])[CH:18]=3)[N:13]=2)=[CH:10][CH:11]=1)[CH2:2][CH2:3][CH2:4][CH3:5]
null
US05695684_
1,997
Br.CC(=O)O.CCCCCC.C[O:16][c:15]1[cH:14][c:13]2[cH:12][cH:11][c:10](-[c:9]3[cH:8][cH:7][c:6]([CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[cH:22][cH:21]3)[n:20][c:19]2[cH:18][cH:17]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([OH:16])[cH:17][cH:18][c:19]3[n:20]2)[cH:21][cH:22]1
0.934801
Br.CC(=O)O.CCCCCC.CCCCCc1ccc(-c2ccc3cc(OC)ccc3n2)cc1>>CCCCCc1ccc(-c2ccc3cc(O)ccc3n2)cc1
Br.CC(=O)O.CCCCCC.CCCCCc1ccc(-c2ccc3cc(OC)ccc3n2)cc1>>CCCCCc1ccc(-c2ccc3cc(O)ccc3n2)cc1
US05695684_grants
711edc420cbb848d0227e95652b963236e53e223124c1151b1b6a5bd
Br.CC(=O)O.CCCCCC.C[O:16][c:15]1[cH:14][c:13]2[cH:12][cH:11][c:10](-[c:9]3[cH:8][cH:7][c:6]([CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[cH:22][cH:21]3)[n:20][c:19]2[cH:18][cH:17]1
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([OH:16])[cH:17][cH:18][c:19]3[n:20]2)[cH:21][cH:22]1
([OH;D1;+0:1]-[c:2])>>(C-[O;H0;D2;+0:1]-[c:2])
f50e6edd43215fd09e75ad8277fe209f633bdb24972a58fad4063f8f
1
1
Br.CC(=O)O.CCCCCC
48
345,367
402,157
null
C[O:2][C:3](=[O:34])[CH:4]([NH:12][C:13]([C:15]1[S:16][C:17]([C:20]2[CH:25]=[CH:24][C:23]([O:26][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)=[CH:22][CH:21]=2)=[CH:18][CH:19]=1)=[O:14])[CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.O.[OH-].[Li+]>CO.O.C1COCC1>[CH2:27]([O:26][C:23]1[CH:22]=[CH:21][C:20]([C:17]2[S:16][C:15]([C:13]([NH:12][CH:4]([CH2:5][C:6]3[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=3)[C:3]([OH:34])=[O:2])=[O:14])=[CH:19][CH:18]=2)=[CH:25][CH:24]=1)[C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1
|f:1.2.3|
US20060247260A1_0340
2,006
C1CCOC1.CO.C[O:14][C:12]([CH:4]([NH:3][C:2](=[O:1])[c:15]1[cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:31][cH:32]2)[s:33]1)[CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)=[O:13].O.O.[Li+].[OH-]>>[O:1]=[C:2]([NH:3][CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[OH:14])[c:15]1[cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:31][cH:32]2)[s:33]1
0.803826
C1CCOC1.CO.COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1.O.O~[Li+]~[OH-]>>O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1
C1CCOC1.CO.COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1.O.O.[Li+].[OH-]>>O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1
US20060247260A1_0340apps
9a989cd81bf77ad5a54b457ead990981b78187220c17aa76b676cd14
C1CCOC1.CO.C[O:14][C:12]([CH:4]([NH:3][C:2](=[O:1])[c:15]1[cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:31][cH:32]2)[s:33]1)[CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)=[O:13].O.O.[Li+].[OH-]
[O:1]=[C:2]([NH:3][CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[OH:14])[c:15]1[cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:31][cH:32]2)[s:33]1
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
0a02d2d47df007d05d29f7b852c5bfe9dcbd7a32224d027cc636bd27
1
1
C1CCOC1.CO.O.O.[Li+].[OH-]
88
257,507
852,150
1,418,204
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[CH:16]=[CH:15][C:12]([CH:13]=[O:14])=[CH:11][CH:10]=2)=[CH:4][C:3]=1[C:17]([F:20])([F:19])[F:18].[BH4-].[Na+]>CO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[CH:16]=[CH:15][C:12]([CH2:13][OH:14])=[CH:11][CH:10]=2)=[CH:4][C:3]=1[C:17]([F:18])([F:19])[F:20]
|f:1.2|
US08637536B2_0296
2,014
CO.[BH4-].[Na+].[O:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][cH:20]1>>[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][cH:20]1
0.307423
CO.O=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.[BH4-]~[Na+]>>OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
CO.O=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.[BH4-].[Na+]>>OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
US08637536B2_0296grants
38a8bf94215a9be8c92d7660494cb1fc3e88143c21b588bed3e1f40e
CO.[BH4-].[Na+].[O:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][cH:20]1
[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][cH:20]1
([OH;D1;+0:1]-[CH2;D2;+0:2]-[c:3])>>([O;H0;D1;+0:1]=[CH;D2;+0:2]-[c:3])
840c26c06ae3d1e03b5c3844632a3543b6d18e6db9d7ee28fbdda31c
1
1
CO.[BH4-].[Na+]
356
51,765
223,684
369,304
[CH3:1][NH:2][C:3]1[C:8]([N+:9]([O-])=O)=[CH:7][CH:6]=[C:5]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[N:4]=1.C(O)C>[Pd].O1CCOCC1>[NH2:9][C:8]1[C:3]([NH:2][CH3:1])=[N:4][C:5]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:6][CH:7]=1
null
US05624935_
1,997
C1COCCO1.CCO.O=[N+:15]([O-])[c:14]1[c:3]([NH:2][CH3:1])[n:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13]1.[Pd]>>[CH3:1][NH:2][c:3]1[n:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13][c:14]1[NH2:15]
0.951594
C1COCCO1.CCO.CNc1nc(-c2ccccc2)ccc1[N+](=O)[O-].[Pd]>>CNc1nc(-c2ccccc2)ccc1N
C1COCCO1.CCO.CNc1nc(-c2ccccc2)ccc1[N+](=O)[O-].[Pd]>>CNc1nc(-c2ccccc2)ccc1N
US05624935_grants
8fa17b980dd74bda29e602d3c428eaa535477a0aa3118d0667a46bfc
C1COCCO1.CCO.O=[N+:15]([O-])[c:14]1[c:3]([NH:2][CH3:1])[n:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13]1.[Pd]
[CH3:1][NH:2][c:3]1[n:4][c:5](-[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13][c:14]1[NH2:15]
([#7;a:4]:[c:3]:[c:2]-[NH2;D1;+0:1])>>(O=[N+;H0;D3:1](-[O-])-[c:2]:[c:3]:[#7;a:4])
e69a09e0931e7bc26f571c5e2ed13b773c90943f0f6753349e287e32
1
1
C1COCCO1.CCO.[Pd]
269
348,716
448,887
null
[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6]Br)=[CH:4][CH:3]=1.[CH2:10]([O:12][C:13](=[O:34])[C:14]1[CH:19]=[CH:18][N:17]=[C:16]([N:20]2[C:24]([CH3:25])=[CH:23][CH:22]=[C:21]2[C:26]2[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:27]=2[OH:33])[CH:15]=1)[CH3:11].C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.CCOC(C)=O>[CH2:10]([O:12][C:13](=[O:34])[C:14]1[CH:19]=[CH:18][N:17]=[C:16]([N:20]2[C:24]([CH3:25])=[CH:23][CH:22]=[C:21]2[C:26]2[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:27]=2[O:33][CH2:6][C:5]2[CH:8]=[CH:9][C:2]([F:1])=[CH:3][CH:4]=2)[CH:15]=1)[CH3:11]
|f:2.3.4|
US20070082912A1_0934
2,007
Br[CH2:25][c:26]1[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]1.CCOC(C)=O.CN(C)C=O.O=C([O-])[O-].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][n:9][c:10](-[n:11]2[c:12]([CH3:13])[cH:14][cH:15][c:16]2-[c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]2[OH:24])[cH:33]1.[K+].[K+]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][n:9][c:10](-[n:11]2[c:12]([CH3:13])[cH:14][cH:15][c:16]2-[c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]2[O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]2)[cH:33]1
0.965839
CCOC(=O)c1ccnc(-n2c(C)ccc2-c2cc(Cl)ccc2O)c1.CCOC(C)=O.CN(C)C=O.Fc1ccc(CBr)cc1.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)c1ccnc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)c1
CCOC(=O)c1ccnc(-n2c(C)ccc2-c2cc(Cl)ccc2O)c1.CCOC(C)=O.CN(C)C=O.Fc1ccc(CBr)cc1.O=C([O-])[O-].[K+].[K+]>>CCOC(=O)c1ccnc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)c1
US20070082912A1_0934apps
59e73e60b7d9d5331a06da569c5d77fa40d4fc20b8f105305671ba9d
Br[CH2:25][c:26]1[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]1.CCOC(C)=O.CN(C)C=O.O=C([O-])[O-].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][n:9][c:10](-[n:11]2[c:12]([CH3:13])[cH:14][cH:15][c:16]2-[c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]2[OH:24])[cH:33]1.[K+].[K+]
[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][n:9][c:10](-[n:11]2[c:12]([CH3:13])[cH:14][cH:15][c:16]2-[c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]2[O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]2)[cH:33]1
([c:4]-[O;H0;D2;+0:3]-[CH2;D2;+0:1]-[c:2])>>(Br-[CH2;D2;+0:1]-[c:2]).([OH;D1;+0:3]-[c:4])
461509c97939d6bb7d33fa525a38ed8d1f68b96cbf191aaea94397d2
1
1
CCOC(C)=O.CN(C)C=O.O=C([O-])[O-].[K+].[K+]
127
44,765
196,423
316,814
[C:1]([C:5]1[CH:6]=[C:7]([C:25]([CH3:28])([CH3:27])[CH3:26])[C:8]2[O:12][C:11](=[O:13])[CH:10]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][OH:23])=[CH:16][CH:15]=3)[C:9]=2[CH:24]=1)([CH3:4])([CH3:3])[CH3:2].[C:29](Cl)(=[O:47])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46]>C1(C)C=CC=CC=1>[C:1]([C:5]1[CH:6]=[C:7]([C:25]([CH3:28])([CH3:27])[CH3:26])[C:8]2[O:12][C:11](=[O:13])[CH:10]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][O:23][C:29](=[O:47])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])=[CH:16][CH:15]=3)[C:9]=2[CH:24]=1)([CH3:4])([CH3:3])[CH3:2]
null
US05428162_
1,995
Cc1ccccc1.Cl[C:18]([CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:19].[OH:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH:28]2[C:29](=[O:30])[O:31][c:32]3[c:33]2[cH:34][c:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][c:41]3[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH:28]2[C:29](=[O:30])[O:31][c:32]3[c:33]2[cH:34][c:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][c:41]3[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47]1
0.199918
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccc(OCCO)cc1.CCCCCCCCCCCCCCCCCC(=O)Cl.Cc1ccccc1>>CCCCCCCCCCCCCCCCCC(=O)OCCOc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccc(OCCO)cc1.CCCCCCCCCCCCCCCCCC(=O)Cl.Cc1ccccc1>>CCCCCCCCCCCCCCCCCC(=O)OCCOc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1
US05428162_grants
df1b7eab8fd8e70612e49c1ab52c7161890b8b18790cecb4cbac773d
Cc1ccccc1.Cl[C:18]([CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:19].[OH:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH:28]2[C:29](=[O:30])[O:31][c:32]3[c:33]2[cH:34][c:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][c:41]3[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47]1
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH:28]2[C:29](=[O:30])[O:31][c:32]3[c:33]2[cH:34][c:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][c:41]3[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47]1
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:5]-[C:4])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[OH;D1;+0:5])
dd95e42df91c7014b8bb61b2fcc1694968b310b2018cb51dbcc5f881
1
1
Cc1ccccc1
126
31,274
143,368
230,685
Cl[C:2]1[C:11]([C:12]#[N:13])=[C:10]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=[CH:9]2)[N:3]=1.[C:14]1([CH:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:21][NH2:22])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.O>CN(C)C=O>[C:12]([C:11]1[C:2]([NH:22][CH2:21][CH:20]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[N:3][C:4]2[C:10]=1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=2)#[N:13]
null
US05013736_
1,991
CN(C)C=O.Cl[c:12]1[c:3]([C:2]#[N:1])[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9][c:10]-2[n:11]1.O.[NH2:13][CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[N:1]#[C:2][c:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9][c:10]-2[n:11][c:12]1[NH:13][CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1
0.559006
CN(C)C=O.N#Cc1c2cccccc-2nc1Cl.NCC(c1ccccc1)c1ccccc1.O>>N#Cc1c2cccccc-2nc1NCC(c1ccccc1)c1ccccc1
CN(C)C=O.N#Cc1c2cccccc-2nc1Cl.NCC(c1ccccc1)c1ccccc1.O>>N#Cc1c2cccccc-2nc1NCC(c1ccccc1)c1ccccc1
US05013736_grants
21c7db2edd753e23a323bfe8d3e03eaaffbe056de8f2a7fd40284a2d
CN(C)C=O.Cl[c:12]1[c:3]([C:2]#[N:1])[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9][c:10]-2[n:11]1.O.[NH2:13][CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1
[N:1]#[C:2][c:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9][c:10]-2[n:11][c:12]1[NH:13][CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[NH;D2;+0:5]-[C:4])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[NH2;D1;+0:5])
b7dcca1715ae4f4860ce60c58aa7a841fe17b3f404fb48a132c70869
1
1
CN(C)C=O.O
70
62,958
265,083
448,442
[CH3:1][C:2]1[N:3]=[C:4]2[CH:12]=[CH:11][CH:10]=[C:9]3[N:5]2[C:6]=1[C:7](=[O:29])[N:8]3[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][N:18]1C(=O)C2=CC=CC=C2C1=O.O.NN>C(O)C>[NH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][N:8]1[C:9]2[N:5]3[C:4](=[N:3][C:2]([CH3:1])=[C:6]3[C:7]1=[O:29])[CH:12]=[CH:11][CH:10]=2
|f:1.2|
US05958942_
1,999
CCO.NN.O.O=C1c2ccccc2C(=O)[N:15]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][n:9]1[c:8]2[cH:7][cH:6][cH:5][c:4]3[n:3][c:2]([CH3:1])[c:18]([c:16]1=[O:17])[n:19]32>>[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[n:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH2:15])[c:16](=[O:17])[c:18]1[n:19]23
0.966627
CCO.Cc1nc2cccc3n(CCCCCN4C(=O)c5ccccc5C4=O)c(=O)c1n23.NN~O>>Cc1nc2cccc3n(CCCCCN)c(=O)c1n23
CCO.Cc1nc2cccc3n(CCCCCN4C(=O)c5ccccc5C4=O)c(=O)c1n23.NN.O>>Cc1nc2cccc3n(CCCCCN)c(=O)c1n23
US05958942_grants
e97b3b423b038c5baaee48652a8df80f1cde90d467873eb53f146347
CCO.NN.O.O=C1c2ccccc2C(=O)[N:15]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][n:9]1[c:8]2[cH:7][cH:6][cH:5][c:4]3[n:3][c:2]([CH3:1])[c:18]([c:16]1=[O:17])[n:19]32
[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[n:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH2:15])[c:16](=[O:17])[c:18]1[n:19]23
([C:2]-[NH2;D1;+0:1])>>(O=C1-[N;H0;D3;+0:1](-[C:2])-C(=O)-c2:c:c:c:c:c:2-1)
7399a60fd7378a24dfa10a10ff432b29a0c80f1c6d7ac70d27cfe818
1
1
CCO.NN.O
242
94,228
367,757
627,601
Cl.[CH2:2]([N:9]([CH2:11][C:12]([OH:14])=O)[CH3:10])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C(Cl)CCl.Cl.[CH3:20][NH:21][O:22][CH3:23].CN1CCOCC1>CN(C=O)C>[CH2:2]([N:9]([CH3:10])[CH2:11][C:12]([N:21]([O:22][CH3:23])[CH3:20])=[O:14])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1
|f:0.1,3.4|
US06649642B2_
2,003
CN(C)C=O.CN1CCOCC1.Cl.Cl.ClCCCl.O[C:5](=[O:6])[CH2:7][N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:1][O:2][NH:3][CH3:4]>>[CH3:1][O:2][N:3]([CH3:4])[C:5](=[O:6])[CH2:7][N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1
0.771804
CN(C)C=O.CN(CC(=O)O)Cc1ccccc1~Cl.CN1CCOCC1.CNOC~Cl.ClCCCl>>CON(C)C(=O)CN(C)Cc1ccccc1
CN(C)C=O.CN(CC(=O)O)Cc1ccccc1.CN1CCOCC1.CNOC.Cl.Cl.ClCCCl>>CON(C)C(=O)CN(C)Cc1ccccc1
US06649642B2_grants
a3c1e06d23977ee5095e65621efd8818718d019dfac35bbdbc726712
CN(C)C=O.CN1CCOCC1.Cl.Cl.ClCCCl.O[C:5](=[O:6])[CH2:7][N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:1][O:2][NH:3][CH3:4]
[CH3:1][O:2][N:3]([CH3:4])[C:5](=[O:6])[CH2:7][N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1
([#8:4]-[N;H0;D3;+0:5](-[C;D1;H3:6])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([#8:4]-[NH;D2;+0:5]-[C;D1;H3:6])
e12e17c16fdd82cb71a098517c68119425dd3668f93c08def7cb5247
1
1
CN(C)C=O.CN1CCOCC1.Cl.Cl.ClCCCl
54
64,072
269,055
456,464
[C:1]([OH:4])(=O)C.C(O)=O.[NH2:8][CH2:9][C:10]1[S:14][C:13]2=[CH:15][N:16]=[CH:17][N:12]2[CH:11]=1.C(=O)([O-])[O-].[K+].[K+]>O.ClCCl>[CH:1]([NH:8][CH2:9][C:10]1[S:14][C:13]2=[CH:15][N:16]=[CH:17][N:12]2[CH:11]=1)=[O:4]
|f:3.4.5|
US05990101_
1,999
CC(=O)O.ClCCl.O.O=C([O-])[O-].O[CH:2]=[O:1].[K+].[K+].[NH2:3][CH2:4][c:5]1[cH:6][n:7]2[cH:8][n:9][cH:10][c:11]2[s:12]1>>[O:1]=[CH:2][NH:3][CH2:4][c:5]1[cH:6][n:7]2[cH:8][n:9][cH:10][c:11]2[s:12]1
0.671843
CC(=O)O.ClCCl.NCc1cn2cncc2s1.O.O=C([O-])[O-]~[K+]~[K+].O=CO>>O=CNCc1cn2cncc2s1
CC(=O)O.ClCCl.NCc1cn2cncc2s1.O.O=C([O-])[O-].O=CO.[K+].[K+]>>O=CNCc1cn2cncc2s1
US05990101_grants
33b9f056231607df806892c3adcdb2a30de00ee22b1b27f6137d9543
CC(=O)O.ClCCl.O.O=C([O-])[O-].O[CH:2]=[O:1].[K+].[K+].[NH2:3][CH2:4][c:5]1[cH:6][n:7]2[cH:8][n:9][cH:10][c:11]2[s:12]1
[O:1]=[CH:2][NH:3][CH2:4][c:5]1[cH:6][n:7]2[cH:8][n:9][cH:10][c:11]2[s:12]1
([C:3]-[NH;D2;+0:4]-[CH;D2;+0:1]=[O;D1;H0:2])>>(O-[CH;D2;+0:1]=[O;D1;H0:2]).([C:3]-[NH2;D1;+0:4])
d40f4576bdb301f48f289a2feb56efff36a79f85a994cfb7b2dc03d1
1
1
CC(=O)O.ClCCl.O.O=C([O-])[O-].[K+].[K+]
370
129,427
473,875
800,480
Cl[C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[CH:11][CH:10]=2)[N:5]=[CH:4][N:3]=1.[NH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C(OCC)(=O)C.O>CN1CCCC1=O.CCCCCC>[N+:15]([C:12]1[CH:13]=[CH:14][C:9]([O:8][C:6]2[N:5]=[CH:4][N:3]=[C:2]([NH:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[CH:7]=2)=[CH:10][CH:11]=1)([O-:17])=[O:16]
null
US07253286B2_2370
2,007
CCCCCC.CCOC(C)=O.CN1CCCC1=O.Cl[c:11]1[cH:10][c:9]([O:8][c:7]2[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:23][cH:22]2)[n:21][cH:20][n:19]1.O.[NH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([NH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[n:19][cH:20][n:21]2)[cH:22][cH:23]1
0.849947
CCCCCC.CCOC(C)=O.CN1CCCC1=O.Nc1ccccc1.O.O=[N+]([O-])c1ccc(Oc2cc(Cl)ncn2)cc1>>O=[N+]([O-])c1ccc(Oc2cc(Nc3ccccc3)ncn2)cc1
CCCCCC.CCOC(C)=O.CN1CCCC1=O.Nc1ccccc1.O.O=[N+]([O-])c1ccc(Oc2cc(Cl)ncn2)cc1>>O=[N+]([O-])c1ccc(Oc2cc(Nc3ccccc3)ncn2)cc1
US07253286B2_2370grants
e6f9810f1b2c412f06d4f540bbc3c0447b242de6349ec98b212833d8
CCCCCC.CCOC(C)=O.CN1CCCC1=O.Cl[c:11]1[cH:10][c:9]([O:8][c:7]2[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:23][cH:22]2)[n:21][cH:20][n:19]1.O.[NH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1
[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([NH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[n:19][cH:20][n:21]2)[cH:22][cH:23]1
([c:8]-[NH;D2;+0:7]-[c;H0;D3;+0:1]1:[#7;a:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1)>>(Cl-[c;H0;D3;+0:1]1:[#7;a:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1).([NH2;D1;+0:7]-[c:8])
db1d2c86680d6406cfc43d406a7d37a82476d5b9bb83e186c7450e56
1
1
CCCCCC.CCOC(C)=O.CN1CCCC1=O.O
161
297,309
967,470
1,628,714
[C:1]([C:3]1[CH:4]=[C:5]([CH2:10][C:11]([OH:13])=[O:12])[CH:6]=[CH:7][C:8]=1[F:9])#[N:2].Cl.[CH3:15]O>CO>[C:1]([C:3]1[CH:4]=[C:5]([CH2:10][C:11]([O:13][CH3:15])=[O:12])[CH:6]=[CH:7][C:8]=1[F:9])#[N:2]
|f:1.2|
US09056859B2_0377
2,015
CO.Cl.O[CH3:1].[OH:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([F:10])[c:11]([C:12]#[N:13])[cH:14]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([F:10])[c:11]([C:12]#[N:13])[cH:14]1
0.625093
CO.CO~Cl.N#Cc1cc(CC(=O)O)ccc1F>>COC(=O)Cc1ccc(F)c(C#N)c1
CO.CO.Cl.N#Cc1cc(CC(=O)O)ccc1F>>COC(=O)Cc1ccc(F)c(C#N)c1
US09056859B2_0377grants
a682b8c1f70fc2629c262c3b3526062ddcc8c95759320a546dce5051
CO.Cl.O[CH3:1].[OH:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([F:10])[c:11]([C:12]#[N:13])[cH:14]1
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([F:10])[c:11]([C:12]#[N:13])[cH:14]1
([CH3;D1;+0:1]-[O;H0;D2;+0:4]-[C:3]=[O;D1;H0:2])>>(O-[CH3;D1;+0:1]).([O;D1;H0:2]=[C:3]-[OH;D1;+0:4])
e189425e090fce77131c907ebf1468461240dd27d4457a40d701e43e
1
1
CO.Cl
195
256,567
849,502
1,412,998
[CH2:1]([C:3]1[CH:4]=[C:5]([NH:9][CH:10]([C:14]2[CH:15]=[N:16][C:17]([O:20][CH3:21])=[CH:18][CH:19]=2)[C:11]([OH:13])=[O:12])[CH:6]=[CH:7][CH:8]=1)[CH3:2].[N:22]12[CH2:29][CH2:28][CH:25]([CH2:26][CH2:27]1)[C@@H:24](O)[CH2:23]2.O.N1(O)C2C=CC=CC=2N=N1.C(=NC1CCCCC1)=NC1CCCCC1>C1COCC1>[CH2:1]([C:3]1[CH:4]=[C:5]([NH:9][CH:10]([C:14]2[CH:15]=[N:16][C:17]([O:20][CH3:21])=[CH:18][CH:19]=2)[C:11]([O:13][C@@H:24]2[CH:25]3[CH2:28][CH2:29][N:22]([CH2:27][CH2:26]3)[CH2:23]2)=[O:12])[CH:6]=[CH:7][CH:8]=1)[CH3:2]
|f:2.3|
US08629160B2_0384
2,014
C(=NC1CCCCC1)=NC1CCCCC1.C1CCOC1.O.O[C:10]([CH:9]([NH:8][c:7]1[cH:6][cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:29]1)[c:21]1[cH:22][cH:23][c:24]([O:25][CH3:26])[n:27][cH:28]1)=[O:11].On1nnc2ccccc21.[OH:12][C@H:13]1[CH2:14][N:15]2[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20]2>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7]([NH:8][CH:9]([C:10](=[O:11])[O:12][C@H:13]2[CH2:14][N:15]3[CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20]3)[c:21]2[cH:22][cH:23][c:24]([O:25][CH3:26])[n:27][cH:28]2)[cH:29]1
0.841131
C(=NC1CCCCC1)=NC1CCCCC1.C1CCOC1.CCc1cccc(NC(C(=O)O)c2ccc(OC)nc2)c1.O[C@H]1CN2CCC1CC2.O~On1nnc2ccccc21>>CCc1cccc(NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccc(OC)nc2)c1
C(=NC1CCCCC1)=NC1CCCCC1.C1CCOC1.CCc1cccc(NC(C(=O)O)c2ccc(OC)nc2)c1.O.O[C@H]1CN2CCC1CC2.On1nnc2ccccc21>>CCc1cccc(NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccc(OC)nc2)c1
US08629160B2_0384grants
66e1164ec6af455f733405400b1b63b770e10cce65d2fb9c5ceaedb5
C(=NC1CCCCC1)=NC1CCCCC1.C1CCOC1.O.O[C:10]([CH:9]([NH:8][c:7]1[cH:6][cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:29]1)[c:21]1[cH:22][cH:23][c:24]([O:25][CH3:26])[n:27][cH:28]1)=[O:11].On1nnc2ccccc21.[OH:12][C@H:13]1[CH2:14][N:15]2[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20]2
[CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7]([NH:8][CH:9]([C:10](=[O:11])[O:12][C@H:13]2[CH2:14][N:15]3[CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20]3)[c:21]2[cH:22][cH:23][c:24]([O:25][CH3:26])[n:27][cH:28]2)[cH:29]1
([C:4]-[O;H0;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[OH;D1;+0:5])
a6871142fd86a88cf89e8dce15586c0c2325bd32f2c5592778c4dcb1
1
1
C(=NC1CCCCC1)=NC1CCCCC1.C1CCOC1.O.On1nnc2ccccc21
17
116,951
436,613
742,951
[NH:1]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][C:9](=[O:14])[CH2:8]2)[C:2]([NH2:4])=[O:3].[Br:15][C:16]1[CH:17]=[C:18]([CH:21]=O)[NH:19][CH:20]=1.N1CCCCC1>C(O)C>[NH:1]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][C:9](=[O:14])[C:8]2=[CH:21][C:18]1[NH:19][CH:20]=[C:16]([Br:15])[CH:17]=1)[C:2]([NH2:4])=[O:3]
null
US07105563B2_0741
2,006
C1CCNCC1.CCO.O=[CH:12][c:13]1[cH:14][c:15]([Br:16])[cH:17][nH:18]1.[NH2:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[CH2:11][C:19](=[O:20])[NH:21]2>>[NH2:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[C:11](=[CH:12][c:13]1[cH:14][c:15]([Br:16])[cH:17][nH:18]1)[C:19](=[O:20])[NH:21]2
0.98515
C1CCNCC1.CCO.NC(=O)Nc1ccc2c(c1)CC(=O)N2.O=Cc1cc(Br)c[nH]1>>NC(=O)Nc1ccc2c(c1)C(=Cc1cc(Br)c[nH]1)C(=O)N2
C1CCNCC1.CCO.NC(=O)Nc1ccc2c(c1)CC(=O)N2.O=Cc1cc(Br)c[nH]1>>NC(=O)Nc1ccc2c(c1)C(=Cc1cc(Br)c[nH]1)C(=O)N2
US07105563B2_0741grants
fa020f5d80549bea18c9cdfe47a28baed02a3f1e17c42604a28b6598
C1CCNCC1.CCO.O=[CH:12][c:13]1[cH:14][c:15]([Br:16])[cH:17][nH:18]1.[NH2:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[CH2:11][C:19](=[O:20])[NH:21]2
[NH2:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[C:11](=[CH:12][c:13]1[cH:14][c:15]([Br:16])[cH:17][nH:18]1)[C:19](=[O:20])[NH:21]2
([#7:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](-[c:8])=[CH;D2;+0:1]-[c:2]:[#7;a:3])>>(O=[CH;D2;+0:1]-[c:2]:[#7;a:3]).([#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[c:8])
7924cbf0da79d1713912e854ce0d084a37ce4e2f134b0ab1fff2a499
1
1
C1CCNCC1.CCO
440
295,620
962,474
1,618,950
[CH2:1]([O:4][C:5]1[C:6]([Cl:20])=[C:7]([C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=O)[CH:8]=[C:9]([Br:11])[CH:10]=1)[CH:2]=[CH2:3].C([SiH](CC)CC)C.OS(C(F)(F)F)(=O)=O>C(O)(C(F)(F)F)=O>[CH2:1]([O:4][C:5]1[CH:10]=[C:9]([Br:11])[CH:8]=[C:7]([CH2:12][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:6]=1[Cl:20])[CH:2]=[CH2:3]
null
US09034921B2_0828
2,015
CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=[C:11]([c:10]1[cH:9][c:7]([Br:8])[cH:6][c:5]([O:4][CH2:3][CH:2]=[CH2:1])[c:18]1[Cl:19])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[CH2:1]=[CH:2][CH2:3][O:4][c:5]1[cH:6][c:7]([Br:8])[cH:9][c:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]1[Cl:19]
0.932606
C=CCOc1cc(Br)cc(C(=O)c2ccccc2)c1Cl.CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F>>C=CCOc1cc(Br)cc(Cc2ccccc2)c1Cl
C=CCOc1cc(Br)cc(C(=O)c2ccccc2)c1Cl.CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F>>C=CCOc1cc(Br)cc(Cc2ccccc2)c1Cl
US09034921B2_0828grants
9d8e015ae3f91d27cc7b0d34e7e3688c007a49c805cb6d19800151f8
CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=[C:11]([c:10]1[cH:9][c:7]([Br:8])[cH:6][c:5]([O:4][CH2:3][CH:2]=[CH2:1])[c:18]1[Cl:19])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1
[CH2:1]=[CH:2][CH2:3][O:4][c:5]1[cH:6][c:7]([Br:8])[cH:9][c:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]1[Cl:19]
([c:2]-[CH2;D2;+0:1]-[c:3])>>(O=[C;H0;D3;+0:1](-[c:2])-[c:3])
1bb93bf6b4815adae75a71f034092e182da406fe26ce33ec68e8ca8c
1
1
CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
181
61,747
260,763
441,393
[N+:1]([C:4]1[CH:21]=[CH:20][C:7]([O:8][CH2:9][C:10]([O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:11])=[CH:6][CH:5]=1)([O-])=O.[H][H]>CO>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([O:8][CH2:9][C:10]([O:12][CH2:13][C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)=[O:11])=[CH:20][CH:21]=1
null
US05922717_
1,999
CO.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19]1.[H][H]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19]1
0.795954
CO.O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccccc1.[H][H]>>Nc1ccc(OCC(=O)OCc2ccccc2)cc1
CO.O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccccc1.[H][H]>>Nc1ccc(OCC(=O)OCc2ccccc2)cc1
US05922717_grants
2387edf09d11e4989a0e78ef1a78bc0bcc3300612e43833aa7955f0c
CO.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19]1.[H][H]
[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19]1
([C:7]-[#8:6]-[c:5]1:[c:4]:[c:3]:[c:2](-[NH2;D1;+0:1]):[c:9]:[c:8]:1)>>(O=[N+;H0;D3:1](-[O-])-[c:2]1:[c:3]:[c:4]:[c:5](-[#8:6]-[C:7]):[c:8]:[c:9]:1)
5d606ba98c48a347483be685a963a247739e05d6f2d25949b87f7a78
1
1
CO.[H][H]
202
23,402
111,303
180,341
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:16]([CH2:17][C:18]([OH:20])=O)[C:11]3=[N:12][CH:13]=[CH:14][CH:15]=[C:10]3[N:9]=2)=[CH:4][CH:3]=1.C(N1C=CN=C1)(N1C=CN=C1)=O.[CH:33]([NH2:36])([CH3:35])[CH3:34]>O1CCCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:16]([CH2:17][C:18]([NH:36][CH:33]([CH3:35])[CH3:34])=[O:20])[C:11]3=[N:12][CH:13]=[CH:14][CH:15]=[C:10]3[N:9]=2)=[CH:6][CH:7]=1
null
US04772600_
1,988
C1CCOC1.O=C(n1ccnc1)n1ccnc1.O[C:5](=[O:6])[CH2:7][n:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[n:17][c:18]2[cH:19][cH:20][cH:21][n:22][c:23]12.[CH3:1][CH:2]([CH3:3])[NH2:4]>>[CH3:1][CH:2]([CH3:3])[NH:4][C:5](=[O:6])[CH2:7][n:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[n:17][c:18]2[cH:19][cH:20][cH:21][n:22][c:23]12
0.766515
C1CCOC1.CC(C)N.O=C(O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.O=C(n1ccnc1)n1ccnc1>>CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
C1CCOC1.CC(C)N.O=C(O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.O=C(n1ccnc1)n1ccnc1>>CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
US04772600_grants
82d7ba84da0e6b54622bc798e7ddd6693fb59a61dd9b7e60d82a2194
C1CCOC1.O=C(n1ccnc1)n1ccnc1.O[C:5](=[O:6])[CH2:7][n:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[n:17][c:18]2[cH:19][cH:20][cH:21][n:22][c:23]12.[CH3:1][CH:2]([CH3:3])[NH2:4]
[CH3:1][CH:2]([CH3:3])[NH:4][C:5](=[O:6])[CH2:7][n:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[n:17][c:18]2[cH:19][cH:20][cH:21][n:22][c:23]12
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
9700dfbbea18932b10f40ed49527a6efd0b261364d0b5e3b1e240441
1
1
C1CCOC1.O=C(n1ccnc1)n1ccnc1
230
389,480
1,113,089
null
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11]([C:14](=[O:29])[CH2:15][NH:16][C:17]([C:19]3[CH:20]=[C:21]([O:25][C:26](=[O:28])[CH3:27])[CH:22]=[CH:23][CH:24]=3)=[O:18])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[CH:30]1[C:39]2[C:34](=[CH:35][CH:36]=[CH:37][CH:38]=2)[CH:33]=[CH:32][C:31]=1[C:40](O)=[O:41].C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.C(N(C(C)C)C(C)C)C>CN(C=O)C>[CH:30]1[C:39]2[C:34](=[CH:35][CH:36]=[CH:37][CH:38]=2)[CH:33]=[CH:32][C:31]=1[C:40]([NH:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:29])[CH2:15][NH:16][C:17]([C:19]3[CH:20]=[C:21]([O:25][C:26](=[O:28])[CH3:27])[CH:22]=[CH:23][CH:24]=3)=[O:18])[CH2:12][CH2:13]2)=[CH:4][CH:3]=1)=[O:41]
|f:2.3|
US20110250135A1_0357
2,011
CCN(C(C)C)C(C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O[C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[cH:36]1.[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][c:9]([C:10](=[O:11])[NH:12][CH2:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:20]3[cH:21][cH:22][c:23]([NH2:24])[cH:37][cH:38]3)[CH2:39][CH2:40]2)[cH:41]1.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1>>[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][c:9]([C:10](=[O:11])[NH:12][CH2:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:20]3[cH:21][cH:22][c:23]([NH:24][C:25](=[O:26])[c:27]4[cH:28][cH:29][c:30]5[cH:31][cH:32][cH:33][cH:34][c:35]5[cH:36]4)[cH:37][cH:38]3)[CH2:39][CH2:40]2)[cH:41]1
0.812609
CC(=O)Oc1cccc(C(=O)NCC(=O)N2CCN(c3ccc(N)cc3)CC2)c1.CCN(C(C)C)C(C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F~c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1.O=C(O)c1ccc2ccccc2c1>>CC(=O)Oc1cccc(C(=O)NCC(=O)N2CCN(c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)CC2)c1
CC(=O)Oc1cccc(C(=O)NCC(=O)N2CCN(c3ccc(N)cc3)CC2)c1.CCN(C(C)C)C(C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O=C(O)c1ccc2ccccc2c1.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1>>CC(=O)Oc1cccc(C(=O)NCC(=O)N2CCN(c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)CC2)c1
US20110250135A1_0357apps
aa92bd2fcc3c285fb02bd996b50b8500a017a9e06d2a6481c2d491c3
CCN(C(C)C)C(C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O[C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[cH:36]1.[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][c:9]([C:10](=[O:11])[NH:12][CH2:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:20]3[cH:21][cH:22][c:23]([NH2:24])[cH:37][cH:38]3)[CH2:39][CH2:40]2)[cH:41]1.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][c:9]([C:10](=[O:11])[NH:12][CH2:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:20]3[cH:21][cH:22][c:23]([NH:24][C:25](=[O:26])[c:27]4[cH:28][cH:29][c:30]5[cH:31][cH:32][cH:33][cH:34][c:35]5[cH:36]4)[cH:37][cH:38]3)[CH2:39][CH2:40]2)[cH:41]1
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[c:5])
35b8cb0d38b7801143c15d7c216f0b66c154f00ac243d1252d6d0e55
1
1
CCN(C(C)C)C(C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
50
369,984
759,968
null
CO.C1COCC1.[CH3:8][N:9]1[C:13]2=[CH:14][CH:15]=[C:16]3[C:21]([N:20]=[C:19]([C:22]4[CH:31]=[CH:30][C:25]([C:26]([O:28]C)=[O:27])=[CH:24][CH:23]=4)[N:18]=[C:17]3[N:32]3[CH2:37][CH2:36][O:35][CH2:34][CH2:33]3)=[C:12]2[CH:11]=[CH:10]1.[OH-].[Na+]>O>[CH3:8][N:9]1[C:13]2=[CH:14][CH:15]=[C:16]3[C:21]([N:20]=[C:19]([C:22]4[CH:23]=[CH:24][C:25]([C:26]([OH:28])=[O:27])=[CH:30][CH:31]=4)[N:18]=[C:17]3[N:32]3[CH2:37][CH2:36][O:35][CH2:34][CH2:33]3)=[C:12]2[CH:11]=[CH:10]1
|f:0.1,3.4|
US20090227575A1_0495
2,009
C1CCOC1.CO.C[O:15][C:13]([c:12]1[cH:11][cH:10][c:9](-[c:8]2[n:7][c:6]3[c:5]4[cH:4][cH:3][n:2]([CH3:1])[c:29]4[cH:28][cH:27][c:26]3[c:19]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[n:18]2)[cH:17][cH:16]1)=[O:14].O.[Na+].[OH-]>>[CH3:1][n:2]1[cH:3][cH:4][c:5]2[c:6]3[n:7][c:8](-[c:9]4[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]4)[n:18][c:19]([N:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:26]3[cH:27][cH:28][c:29]12
0.877002
C1CCOC1~CO.COC(=O)c1ccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)cc1.O.[Na+]~[OH-]>>Cn1ccc2c3nc(-c4ccc(C(=O)O)cc4)nc(N4CCOCC4)c3ccc21
C1CCOC1.CO.COC(=O)c1ccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)cc1.O.[Na+].[OH-]>>Cn1ccc2c3nc(-c4ccc(C(=O)O)cc4)nc(N4CCOCC4)c3ccc21
US20090227575A1_0495apps
94e3238c8e9fa33ceb5f3e3f499962dea2851e92fd92347a14fb7ad5
C1CCOC1.CO.C[O:15][C:13]([c:12]1[cH:11][cH:10][c:9](-[c:8]2[n:7][c:6]3[c:5]4[cH:4][cH:3][n:2]([CH3:1])[c:29]4[cH:28][cH:27][c:26]3[c:19]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[n:18]2)[cH:17][cH:16]1)=[O:14].O.[Na+].[OH-]
[CH3:1][n:2]1[cH:3][cH:4][c:5]2[c:6]3[n:7][c:8](-[c:9]4[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]4)[n:18][c:19]([N:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:26]3[cH:27][cH:28][c:29]12
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1)
48f3c58ed4b2eb976195200c79ebaafb36d7eb1c6248c7c6424a4457
1
1
C1CCOC1.CO.O.[Na+].[OH-]
247
301,223
980,501
1,652,211
[CH3:1][C:2]1[C:10]([CH3:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[CH3:12][CH:13]([CH3:25])[CH2:14][CH:15]([C:18]1[CH:19]=[N:20][C:21]([CH3:24])=[CH:22][CH:23]=1)[CH2:16][NH2:17]>>[CH3:1][C:2]1[C:10]([CH3:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([NH:17][CH2:16][CH:15]([C:18]1[CH:19]=[N:20][C:21]([CH3:24])=[CH:22][CH:23]=1)[CH2:14][CH:13]([CH3:25])[CH3:12])=[O:6]
null
US09102591B2_0523
2,015
O[C:9](=[O:10])[c:11]1[cH:12][cH:13][cH:14][c:15]([CH3:16])[c:17]1[CH3:18].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][NH2:8])[CH2:19][CH:20]([CH3:21])[CH3:22])[cH:23][n:24]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][c:15]([CH3:16])[c:17]2[CH3:18])[CH2:19][CH:20]([CH3:21])[CH3:22])[cH:23][n:24]1
0.619571
Cc1ccc(C(CN)CC(C)C)cn1.Cc1cccc(C(=O)O)c1C>>Cc1ccc(C(CNC(=O)c2cccc(C)c2C)CC(C)C)cn1
Cc1ccc(C(CN)CC(C)C)cn1.Cc1cccc(C(=O)O)c1C>>Cc1ccc(C(CNC(=O)c2cccc(C)c2C)CC(C)C)cn1
US09102591B2_0523grants
43cbc3e62dd7550e77b04cef2031ea385c58f21fbb10471d3097a1bc
O[C:9](=[O:10])[c:11]1[cH:12][cH:13][cH:14][c:15]([CH3:16])[c:17]1[CH3:18].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][NH2:8])[CH2:19][CH:20]([CH3:21])[CH3:22])[cH:23][n:24]1
[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][c:15]([CH3:16])[c:17]2[CH3:18])[CH2:19][CH:20]([CH3:21])[CH3:22])[cH:23][n:24]1
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH2;D1;+0:5])
4b62c30a3b92b9941a5ddfdb3fbb597241af09409f8fb78aee5317d4
1
1
null
334
187,062
646,379
1,069,134
[O:1]=[C:2]1[NH:7][C:6]2[CH:8]=[C:9]([C:12](OC)=[O:13])[CH:10]=[N:11][C:5]=2[N:4]2[CH2:16][CH2:17][C@@H:3]12.[H-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-].[C@H](O)(C([O-])=O)[C@@H](O)C([O-])=O.[Na+].[K+]>O1CCCC1.O.CO>[OH:13][CH2:12][C:9]1[CH:10]=[N:11][C:5]2[N:4]3[CH2:16][CH2:17][C@H:3]3[C:2](=[O:1])[NH:7][C:6]=2[CH:8]=1
|f:1.2,3.4.5.6.7.8,9.10.11|
US07928105B2_0913
2,011
C1CCOC1.CO.CO[C:7]([c:6]1[cH:5][c:4]2[c:11]([n:10][cH:9]1)[N:12]1[CH2:13][CH2:14][C@H:15]1[C:2](=[O:1])[NH:3]2)=[O:8].O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Al+3].[H-].[H-].[H-].[H-].[H-].[K+].[Li+].[Na+].[Na+]>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][c:6]([CH2:7][OH:8])[cH:9][n:10][c:11]2[N:12]2[CH2:13][CH2:14][C@@H:15]12
0.82129
C1CCOC1.CO.COC(=O)c1cnc2c(c1)NC(=O)[C@@H]1CCN21.O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-]~[K+]~[Na+].[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+].[H-]~[Na+]>>O=C1Nc2cc(CO)cnc2N2CC[C@@H]12
C1CCOC1.CO.COC(=O)c1cnc2c(c1)NC(=O)[C@@H]1CCN21.O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Al+3].[H-].[H-].[H-].[H-].[H-].[K+].[Li+].[Na+].[Na+]>>O=C1Nc2cc(CO)cnc2N2CC[C@@H]12
US07928105B2_0913grants
5f8f2e865776bc5b423be10c1e158a755be73a92e974ae78833b966d
C1CCOC1.CO.CO[C:7]([c:6]1[cH:5][c:4]2[c:11]([n:10][cH:9]1)[N:12]1[CH2:13][CH2:14][C@H:15]1[C:2](=[O:1])[NH:3]2)=[O:8].O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Al+3].[H-].[H-].[H-].[H-].[H-].[K+].[Li+].[Na+].[Na+]
[O:1]=[C:2]1[NH:3][c:4]2[cH:5][c:6]([CH2:7][OH:8])[cH:9][n:10][c:11]2[N:12]2[CH2:13][CH2:14][C@@H:15]12
([#7;a:5]:[c:4]:[c:3]-[CH2;D2;+0:1]-[OH;D1;+0:2])>>(C-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[c:3]:[c:4]:[#7;a:5])
440cba03c2e51b725f8acbe3d2ba6edbc2a6b94db5400635d92cbd6e
1
1
C1CCOC1.CO.O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Al+3].[H-].[H-].[H-].[H-].[H-].[K+].[Li+].[Na+].[Na+]
522
406,006
1,536,605
null
[CH3:1][O:2][C:3](=[O:42])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19]([O:25][C:26]5[CH:31]=[CH:30][C:29](B6OC(C)(C)C(C)(C)O6)=[CH:28][C:27]=5[F:41])[CH:20]=[CH:21][C:22]=4[F:24])[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1.Br[C:44]1[CH:49]=[CH:48][CH:47]=[C:46]([CH3:50])[N:45]=1>Cl[Pd]Cl.C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2]>[CH3:1][O:2][C:3](=[O:42])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19]([O:25][C:26]5[CH:31]=[CH:30][C:29]([C:44]6[CH:49]=[CH:48][CH:47]=[C:46]([CH3:50])[N:45]=6)=[CH:28][C:27]=5[F:41])[CH:20]=[CH:21][C:22]=4[F:24])[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1
|f:2.3.4.5|
US20140163025A1_0517
2,014
Br[c:23]1[cH:24][cH:25][cH:26][c:27]([CH3:28])[n:29]1.CC1(C)OB([c:22]2[cH:21][cH:20][c:19]([O:18][c:17]3[c:16]4[c:37]([c:35]([F:36])[cH:34][cH:33]3)[C@H:13]([O:12][c:11]3[cH:10][c:9]5[c:40]([cH:39][cH:38]3)[C@H:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[CH2:7][O:8]5)[CH2:14][CH2:15]4)[c:31]([F:32])[cH:30]2)OC1(C)C.Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[cH:10][c:11]([O:12][C@@H:13]3[CH2:14][CH2:15][c:16]4[c:17]([O:18][c:19]5[cH:20][cH:21][c:22](-[c:23]6[cH:24][cH:25][cH:26][c:27]([CH3:28])[n:29]6)[cH:30][c:31]5[F:32])[cH:33][cH:34][c:35]([F:36])[c:37]43)[cH:38][cH:39][c:40]21
0.98027
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(B6OC(C)(C)C(C)(C)O6)cc5F)ccc(F)c43)ccc21.Cc1cccc(Br)n1.Cl[Pd]Cl~[Fe+2]~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(-c6cccc(C)n6)cc5F)ccc(F)c43)ccc21
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(B6OC(C)(C)C(C)(C)O6)cc5F)ccc(F)c43)ccc21.Cc1cccc(Br)n1.Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccc(-c6cccc(C)n6)cc5F)ccc(F)c43)ccc21
US20140163025A1_0517apps
2c53c25ec132dd2e6105d4291fb0b951848e5e6415c69932fece727d
Br[c:23]1[cH:24][cH:25][cH:26][c:27]([CH3:28])[n:29]1.CC1(C)OB([c:22]2[cH:21][cH:20][c:19]([O:18][c:17]3[c:16]4[c:37]([c:35]([F:36])[cH:34][cH:33]3)[C@H:13]([O:12][c:11]3[cH:10][c:9]5[c:40]([cH:39][cH:38]3)[C@H:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[CH2:7][O:8]5)[CH2:14][CH2:15]4)[c:31]([F:32])[cH:30]2)OC1(C)C.Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[cH:10][c:11]([O:12][C@@H:13]3[CH2:14][CH2:15][c:16]4[c:17]([O:18][c:19]5[cH:20][cH:21][c:22](-[c:23]6[cH:24][cH:25][cH:26][c:27]([CH3:28])[n:29]6)[cH:30][c:31]5[F:32])[cH:33][cH:34][c:35]([F:36])[c:37]43)[cH:38][cH:39][c:40]21
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[c;H0;D3;+0:4](:[c:5]):[c:6])>>(Br-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).(C-C1(-C)-O-B(-[c;H0;D3;+0:4](:[c:5]):[c:6])-O-C-1(-C)-C)
e7c0bd73bbaf471b0e150cb941f3a93363b6d7a2e86a6a204efcf655
1
1
Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
939
326,384
1,059,986
1,799,896
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)[C:9]2[CH:14]=[CH:13][C:12](B(O)O)=[CH:11][CH:10]=2)=[CH:4][CH:3]=1.I[C:26]1[CH:31]=[CH:30][C:29]([C:32]([CH3:36])([CH3:35])[C:33]#[N:34])=[CH:28][CH:27]=1.O1CCCC1.C(=O)([O-])[O-].[Na+].[Na+]>O.C(OCC)(=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)[C:9]2[CH:14]=[CH:13][C:12]([C:26]3[CH:31]=[CH:30][C:29]([C:32]([CH3:36])([CH3:35])[C:33]#[N:34])=[CH:28][CH:27]=3)=[CH:11][CH:10]=2)=[CH:4][CH:3]=1
|f:3.4.5|
US09431145B2_0212
2,016
C1CCOC1.CCOC(C)=O.I[c:9]1[cH:8][cH:7][c:6]([C:2]([CH3:1])([CH3:3])[C:4]#[N:5])[cH:32][cH:31]1.O.O=C([O-])[O-].OB(O)[c:10]1[cH:11][cH:12][c:13]([N:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]2)[cH:29][cH:30]1.[Na+].[Na+]>>[CH3:1][C:2]([CH3:3])([C:4]#[N:5])[c:6]1[cH:7][cH:8][c:9](-[c:10]2[cH:11][cH:12][c:13]([N:14]([c:15]3[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]3)[c:22]3[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]3)[cH:29][cH:30]2)[cH:31][cH:32]1
0.38738
C1CCOC1.CC(C)(C#N)c1ccc(I)cc1.CCOC(C)=O.O.O=C([O-])[O-]~[Na+]~[Na+].OB(O)c1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1>>CC(C)(C#N)c1ccc(-c2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1
C1CCOC1.CC(C)(C#N)c1ccc(I)cc1.CCOC(C)=O.O.O=C([O-])[O-].OB(O)c1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Na+].[Na+]>>CC(C)(C#N)c1ccc(-c2ccc(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)cc1
US09431145B2_0212grants
c37398f0ace48e8e27f9eb579c9702b44608c46c4480d07d0c0e86fa
C1CCOC1.CCOC(C)=O.I[c:9]1[cH:8][cH:7][c:6]([C:2]([CH3:1])([CH3:3])[C:4]#[N:5])[cH:32][cH:31]1.O.O=C([O-])[O-].OB(O)[c:10]1[cH:11][cH:12][c:13]([N:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]2)[cH:29][cH:30]1.[Na+].[Na+]
[CH3:1][C:2]([CH3:3])([C:4]#[N:5])[c:6]1[cH:7][cH:8][c:9](-[c:10]2[cH:11][cH:12][c:13]([N:14]([c:15]3[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]3)[c:22]3[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]3)[cH:29][cH:30]2)[cH:31][cH:32]1
([c:5]:[c;H0;D3;+0:4](:[c:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(I-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[c;H0;D3;+0:4](:[c:5]):[c:6])
7dd39e88343158d749428576676d52834a98797b3952df04cfe843cf
0.5
2
C1CCOC1.CCOC(C)=O.O.O=C([O-])[O-].[Na+].[Na+]
855
303,084
985,498
1,661,782
CC(C)([O-])C.[K+].[Br:7][C:8]1[N:13]=[C:12]([NH2:14])[CH:11]=[C:10]([CH3:15])[CH:9]=1.Cl[C:17]1[CH:22]=[C:21]([CH:23]([F:25])[F:24])[CH:20]=[CH:19][N:18]=1>C1COCC1.[NH4+].[Cl-].C(Cl)Cl>[Br:7][C:8]1[N:13]=[C:12]([NH:14][C:17]2[CH:22]=[C:21]([CH:23]([F:25])[F:24])[CH:20]=[CH:19][N:18]=2)[CH:11]=[C:10]([CH3:15])[CH:9]=1
|f:0.1,5.6|
US09120785B2_0236
2,015
C1CCOC1.CC(C)(C)[O-].ClCCl.Cl[c:9]1[cH:10][c:11]([CH:12]([F:13])[F:14])[cH:15][cH:16][n:17]1.[CH3:1][c:2]1[cH:3][c:4]([Br:5])[n:6][c:7]([NH2:8])[cH:18]1.[Cl-].[K+].[NH4+]>>[CH3:1][c:2]1[cH:3][c:4]([Br:5])[n:6][c:7]([NH:8][c:9]2[cH:10][c:11]([CH:12]([F:13])[F:14])[cH:15][cH:16][n:17]2)[cH:18]1
0.649435
C1CCOC1.CC(C)(C)[O-]~[K+].Cc1cc(N)nc(Br)c1.ClCCl.FC(F)c1ccnc(Cl)c1.[Cl-]~[NH4+]>>Cc1cc(Br)nc(Nc2cc(C(F)F)ccn2)c1
C1CCOC1.CC(C)(C)[O-].Cc1cc(N)nc(Br)c1.ClCCl.FC(F)c1ccnc(Cl)c1.[Cl-].[K+].[NH4+]>>Cc1cc(Br)nc(Nc2cc(C(F)F)ccn2)c1
US09120785B2_0236grants
fdda6b7d662a744c765f02f2b76161fb9a1ba21af144896ebea8f1ce
C1CCOC1.CC(C)(C)[O-].ClCCl.Cl[c:9]1[cH:10][c:11]([CH:12]([F:13])[F:14])[cH:15][cH:16][n:17]1.[CH3:1][c:2]1[cH:3][c:4]([Br:5])[n:6][c:7]([NH2:8])[cH:18]1.[Cl-].[K+].[NH4+]
[CH3:1][c:2]1[cH:3][c:4]([Br:5])[n:6][c:7]([NH:8][c:9]2[cH:10][c:11]([CH:12]([F:13])[F:14])[cH:15][cH:16][n:17]2)[cH:18]1
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[NH;D2;+0:6]-[c:5]:[#7;a:4])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([#7;a:4]:[c:5]-[NH2;D1;+0:6])
7c9dbe46c98562e6ab1d62e37566c5c9bdddeb331f993a97612c29e3
0.5
2
C1CCOC1.CC(C)(C)[O-].ClCCl.[Cl-].[K+].[NH4+]
606
321,224
1,044,149
1,770,941
B(Br)(Br)Br.[Br:5][C:6]1[CH:7]=[C:8]([C:20]([O:23]C)=[CH:21][N:22]=1)[C:9]([NH:11][CH2:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)=[O:10].CO>C(Cl)Cl>[Br:5][C:6]1[CH:7]=[C:8]([C:20]([OH:23])=[CH:21][N:22]=1)[C:9]([NH:11][CH2:12][C:13]1[CH:14]=[CH:15][C:16]([F:19])=[CH:17][CH:18]=1)=[O:10]
null
US09364482B2_0256
2,016
BrB(Br)Br.CO.C[O:19][c:18]1[c:12]([C:2](=[O:1])[NH:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]2)[cH:13][c:14]([Br:15])[n:16][cH:17]1.ClCCl>>[O:1]=[C:2]([NH:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1)[c:12]1[cH:13][c:14]([Br:15])[n:16][cH:17][c:18]1[OH:19]
0.980623
BrB(Br)Br.CO.COc1cnc(Br)cc1C(=O)NCc1ccc(F)cc1.ClCCl>>O=C(NCc1ccc(F)cc1)c1cc(Br)ncc1O
BrB(Br)Br.CO.COc1cnc(Br)cc1C(=O)NCc1ccc(F)cc1.ClCCl>>O=C(NCc1ccc(F)cc1)c1cc(Br)ncc1O
US09364482B2_0256grants
4bfa3f265108191a33d011775455d5826677f249379fe9096aec556f
BrB(Br)Br.CO.C[O:19][c:18]1[c:12]([C:2](=[O:1])[NH:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]2)[cH:13][c:14]([Br:15])[n:16][cH:17]1.ClCCl
[O:1]=[C:2]([NH:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1)[c:12]1[cH:13][c:14]([Br:15])[n:16][cH:17][c:18]1[OH:19]
([#7;a:4]:[c:3]:[c:2]-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[c:2]:[c:3]:[#7;a:4])
326a39bf36a0bf9979f17f63940ce4261a71ba802a7e5e6238f79afb
1
1
BrB(Br)Br.CO.ClCCl
424
204,339
694,863
1,145,033
[Br:1][C:2]1[N:3]=[C:4]([C:18]([F:21])([F:20])[F:19])[C:5]([C:15](O)=[O:16])=[N:6][C:7]=1[C:8]1[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][CH:9]=1.ClC(N(C)C)=C(C)C.[NH2:30][C@@H:31]1[CH2:36][CH2:35][CH2:34][CH2:33][C@H:32]1[OH:37].C(N(C(C)C)C(C)C)C.C(O)(=O)CC(CC(O)=O)(C(O)=O)O>ClCCl.C(OCC)(=O)C>[OH:37][C@@H:32]1[CH2:33][CH2:34][CH2:35][CH2:36][C@H:31]1[NH:30][C:15]([C:5]1[C:4]([C:18]([F:20])([F:21])[F:19])=[N:3][C:2]([Br:1])=[C:7]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][CH:9]=2)[N:6]=1)=[O:16]
null
US08088920B2_0153
2,012
CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O[C:2](=[O:1])[c:11]1[n:12][c:13](-[c:14]2[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]2)[c:21]([Br:22])[n:23][c:24]1[C:25]([F:26])([F:27])[F:28].[NH2:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[OH:10]>>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[OH:10])[c:11]1[n:12][c:13](-[c:14]2[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]2)[c:21]([Br:22])[n:23][c:24]1[C:25]([F:26])([F:27])[F:28]
0.275402
CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.N[C@@H]1CCCC[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F>>O=C(N[C@@H]1CCCC[C@H]1O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F
CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.N[C@@H]1CCCC[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F>>O=C(N[C@@H]1CCCC[C@H]1O)c1nc(-c2ccc(Cl)cc2)c(Br)nc1C(F)(F)F
US08088920B2_0153grants
27f9c5fbafe3ce1e305c363a38bb4249b64fdf99cc300c25659fc709
CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O[C:2](=[O:1])[c:11]1[n:12][c:13](-[c:14]2[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]2)[c:21]([Br:22])[n:23][c:24]1[C:25]([F:26])([F:27])[F:28].[NH2:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[OH:10]
[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[OH:10])[c:11]1[n:12][c:13](-[c:14]2[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]2)[c:21]([Br:22])[n:23][c:24]1[C:25]([F:26])([F:27])[F:28]
([#7;a:4]:[c:3](:[c:5]:[#7;a:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:8]-[C:7])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3](:[#7;a:4]):[c:5]:[#7;a:6]).([C:7]-[NH2;D1;+0:8])
c3257b5ea5a66913942f2dbd54203ded37f908a59747415087ab17a1
1
1
CC(C)=C(Cl)N(C)C.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.O=C(O)CC(O)(CC(=O)O)C(=O)O
697