smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrCC1=CC=C(C#N)C=C1.C(C)(C)NC>>CN(C(C)C)CC1=CC=C(C#N)C=C1 | 5 |
F[C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[C:7]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH:8]([C:12]([F:15])([F:14])[F:13])[O:9]2)=[CH:4][CH:3]=1.[CH3:21][C:22]1[CH:27]=[CH:26][C:25]([CH3:28])=[CH:24][C:23]=1[OH:29].C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C.CCOCC>[CH3:21][C:22]1[CH:27]=[CH:26][C:25]([CH3:28])=[CH:24][C:23]=1[O:29][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[C:7]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH:8]([C:12]([F:15])([F:14])[F:13])[O:9]2)=[CH:4][CH:3]=1 | 1 |
C(C)(C)(C)C=1C=2N(N=CC1C(=O)OCC)C(=C(C2)Cl)C2=C(C(=CC(=C2)F)Cl)Cl>Cl.[OH-].[Na+].O1CCOCC1>C(C)(C)(C)C=1C=2N(N=CC1C(=O)O)C(=C(C2)Cl)C2=C(C(=CC(=C2)F)Cl)Cl | 3 |
BrC1=C(C=CC=C1)NC(NC1=C(C=C(C=C1)CC(=O)O)OC)=O.C1(=CC=CC=C1)[C@H]1CC[C@H](N1)COC1=CC=C(C(=O)OC)C=C1>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.Cl.CN(CCCN=C=NCC)C>BrC1=C(C=CC=C1)NC(NC1=C(C=C(C=C1)CC(=O)N1[C@@H](CC[C@@H]1C1=CC=CC=C1)COC1=CC=C(C(=O)OC)C=C1)OC)=O | 3 |
O1C(OCCC1)C1=C(C=CC2=C1OC(C=1CNCCC12)=O)O>>C(C)(=O)N1CC2=C(CC1)C1=CC=C(C(=C1OC2=O)C=O)O | 5 |
[OH:1][CH2:2][C:3]([S:6]([CH2:9][CH:10]([CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C:11]([O:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:12])(=[O:8])=[O:7])([CH3:5])[CH3:4].[C:28](O)(=[O:46])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C)C1C=CN=CC=1.C(Cl)Cl>[CH3:4][C:3]([S:6]([CH2:9][CH:10]([CH2:21][C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)[C:11]([O:13][CH2:14][C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1)=[O:12])(=[O:8])=[O:7])([CH3:5])[CH2:2][O:1][C:28](=[O:46])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45] | 1 |
[CH2:1]([S:3][C:4]1[N:8]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3[C:22]3[NH:26][N:25]=[N:24][N:23]=3)=[CH:12][CH:11]=2)[C:7]2[C:27]([C:31]([O:33]CC)=[O:32])=[CH:28][CH:29]=[CH:30][C:6]=2[N:5]=1)[CH3:2].[OH-].[Na+]>CO>[CH2:1]([S:3][C:4]1[N:8]([CH2:9][C:10]2[CH:11]=[CH:12][C:13]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3[C:22]3[NH:26][N:25]=[N:24][N:23]=3)=[CH:14][CH:15]=2)[C:7]2[C:27]([C:31]([OH:33])=[O:32])=[CH:28][CH:29]=[CH:30][C:6]=2[N:5]=1)[CH3:2] | 1 |
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][Si:6]([CH3:9])([CH3:8])Cl.[C:10]([Li])#[C:11]C.[CH2:14](OCC)C>>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][Si:6]([CH3:9])([CH3:14])[C:8]#[C:10][CH3:11] | 1 |
COC=1C=C(CN)C=C(C1)OC.FC(C(=O)C1=C(C=C(C=C1)F)F)(F)F>>COC=1C=C(CNC2=C(C=CC(=C2)F)C(C(F)(F)F)=O)C=C(C1)OC | 5 |
[CH3:1][O:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][NH:12][C:13]2[CH:19]=[CH:18][C:17]([C:20]3[O:21][C:22]4[CH:28]=[CH:27][CH:26]=[CH:25][C:23]=4[N:24]=3)=[CH:16][C:14]=2[NH2:15])=[CH:7][CH:6]=1)=[O:4].Cl.[C:30](=N)(OC)[CH3:31].C(=O)([O-])O.[Na+]>CO>[O:21]1[C:22]2[CH:28]=[CH:27][CH:26]=[CH:25][C:23]=2[N:24]=[C:20]1[C:17]1[CH:18]=[CH:19][C:13]2[N:12]([CH2:11][C:8]3[CH:7]=[CH:6][C:5]([C:3]([O:2][CH3:1])=[O:4])=[CH:10][CH:9]=3)[C:30]([CH3:31])=[N:15][C:14]=2[CH:16]=1 | 1 |
Cl.[CH3:2][O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][NH2:11].[C:12]([CH2:15][C:16](=O)[CH3:17])(=O)[CH3:13].O.C(=O)([O-])[O-].[Na+].[Na+]>C(O)C>[CH3:2][O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[N:10]1[C:16]([CH3:17])=[CH:15][C:12]([CH3:13])=[N:11]1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)OC([C@H]1NC(CC1)=O)=O>O.C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C)OC([C@H]1N(C(CC1)=O)C(=O)OC(C)(C)C)=O | 3 |
C(C(C)(C)C)(=O)Cl.N1CCC(C(=O)OCC)CC1>>C(C(C)(C)C)(=O)N1CCC(CC1)C(=O)OCC | 5 |
ClC1(C(CC1=O)C=1C=C(C(=O)OC)C=CC1)Cl>>O=C1CC(C1)C=1C=C(C(=O)OC)C=CC1 | 5 |
OC=1C(=NC2=CC(=NC=C2C1)C)NC(OC(C)(C)C)=O.O[C@H](C)C=1C=C(C(=O)OC)C=CC1N1N=CC=C1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(=O)(C(F)(F)F)O.[OH-].[Na+].N(=NC(=O)OC(C)C)C(=O)OC(C)C>NC1=NC2=CC(=NC=C2C=C1O[C@@H](C)C=1C=C(C(=O)O)C=CC1N1N=CC=C1)C | 3 |
[CH3:1][C:2]1C(C#N)=[N:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:6][CH:7]=1.[OH-:16].[Na+].Cl.[CH2:19]([OH:21])[CH3:20]>O>[CH3:1][C:2]1[C:20]([C:19]([OH:16])=[O:21])=[N:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:6][CH:7]=1 | 2 |
[OH:1][CH2:2][CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=O)=[CH:7][CH:6]=1.[CH3:19][C:20]1([CH3:29])[CH2:25][C:24]([CH3:27])([CH3:26])[CH2:23][C:22](=O)[CH2:21]1>C1COCC1.[Zn].Cl[Ti](Cl)(Cl)Cl>[C:13]1([C:11](=[C:22]2[CH2:23][C:24]([CH3:27])([CH3:26])[CH2:25][C:20]([CH3:29])([CH3:19])[CH2:21]2)[C:8]2[CH:9]=[CH:10][C:5]([O:4][CH2:3][CH2:2][OH:1])=[CH:6][CH:7]=2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
N(=[N+]=[N-])CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.P(=O)(O)(O)O.ClC1=C(C=CC=C1)C(=O)C=1C(=NC=CC1)C=C(C1=CC=NC=C1)O>ClCCl.C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC(C=1C=C(CN2N=NC(=C2C2=CC=NC=C2)C2=NC=CC=C2C(=O)C2=C(C=CC=C2)Cl)C=C(C1)C(F)(F)F)(F)F | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([F:8])[CH:3]=1.[Br:9]N1C(=O)CCC1=O.CCCCCC>C(Cl)(Cl)(Cl)Cl.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>[Br:9][CH2:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([F:8])[CH:3]=1 | 2 |
Cl.[NH2:2][CH:3]1[C:25](=[O:26])[N:5]2[C:6]([C:22]([OH:24])=[O:23])=[C:7](/[CH:10]=[CH:11]/[CH2:12][N+:13]3[CH:18]=[CH:17][C:16]([C:19](=[O:21])[NH2:20])=[CH:15][CH:14]=3)[CH2:8][S:9][C@H:4]12.C([O-])(O)=O.[Na+].N1([CH2:41][O:42][N:43]=[C:44]([C:48]2[N:52]=[C:51]([NH2:53])[S:50][N:49]=2)[C:45]([O-])=[O:46])C2C=CC=CC=2N=N1.Cl>CN(C=O)C.CC(C)=O>[NH2:53][C:51]1[S:50][N:49]=[C:48]([C:44](=[N:43][O:42][CH3:41])[C:45]([NH:2][CH:3]2[C:25](=[O:26])[N:5]3[C:6]([C:22]([O-:24])=[O:23])=[C:7]([CH:10]=[CH:11][CH2:12][N+:13]4[CH:14]=[CH:15][C:16]([C:19](=[O:21])[NH2:20])=[CH:17][CH:18]=4)[CH2:8][S:9][C@H:4]23)=[O:46])[N:52]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[O:11][CH2:10][C:9](=[O:12])[N:8]([CH2:13][CH2:14][N:15]3[CH2:20][CH2:19][CH:18]([NH:21]C(=O)OC(C)(C)C)[CH2:17][C:16]3=[O:29])[C:7]=2[CH:30]=1.FC(F)(F)C(O)=O.NC1CCN(CCN2C3C=C(OC)C=CC=3COC2=O)CC1>>[NH2:21][CH:18]1[CH2:19][CH2:20][N:15]([CH2:14][CH2:13][N:8]2[C:7]3[CH:30]=[C:3]([O:2][CH3:1])[CH:4]=[CH:5][C:6]=3[O:11][CH2:10][C:9]2=[O:12])[C:16](=[O:29])[CH2:17]1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][S:10](Cl)(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=1[Cl:8].[NH3:14]>C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][S:10]([NH2:14])(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=1[Cl:8] | 2 |
[NH:1]([C:8]([CH3:10])=[O:9])[C@H:2]([C:5]([OH:7])=O)[CH2:3][OH:4].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.[Cl:32][C:33]1[CH:34]=[C:35]([CH:40]([NH:43][C:44]([C:46]2[NH:47][CH:48]=[C:49]([C:51]3[C:55]([C:56]4[CH:61]=[CH:60][C:59]([CH2:62][NH2:63])=[C:58]([Cl:64])[CH:57]=4)=[CH:54][NH:53][N:52]=3)[CH:50]=2)=[O:45])[CH2:41][OH:42])[CH:36]=[CH:37][C:38]=1[F:39]>CN(C=O)C>[Cl:32][C:33]1[CH:34]=[C:35]([CH:40]([NH:43][C:44]([C:46]2[NH:47][CH:48]=[C:49]([C:51]3[C:55]([C:56]4[CH:61]=[CH:60][C:59]([CH2:62][NH:63][C:5](=[O:7])[CH:2]([NH:1][C:8](=[O:9])[CH3:10])[CH2:3][OH:4])=[C:58]([Cl:64])[CH:57]=4)=[CH:54][NH:53][N:52]=3)[CH:50]=2)=[O:45])[CH2:41][OH:42])[CH:36]=[CH:37][C:38]=1[F:39] | 1 |
NC1=C2C(=NC=N1)N(N=C2C2=CC(=CC=C2)OC)C(C)C=2OC1=CC=CC=C1C(C2C2=CC(=CC=C2)F)=O>>NC1=C2C(=NC=N1)N(N=C2C2=CC(=CC=C2)O)C(C)C=2OC1=CC=CC=C1C(C2C2=CC(=CC=C2)F)=O | 5 |
C[S-].[Na+].BrC1=C(C=CC=C1)C(F)F>N(C)(C)C=O>FC(C1=C(C=CC=C1)SC)F | 3 |
COC=1C=C(C=CC1)N1N=C(C(=C1)C)C(=O)OCC>>COC=1C=C(C=CC1)N1N=C(C(=C1)C)C=O | 5 |
Br[CH2:2][C:3]([C:5]1[C:10]([O:11][CH3:12])=[CH:9][C:8]([F:13])=[CH:7][C:6]=1[Cl:14])=O.[NH2:15][C:16]([NH2:18])=[S:17]>CCO>[Cl:14][C:6]1[CH:7]=[C:8]([F:13])[CH:9]=[C:10]([O:11][CH3:12])[C:5]=1[C:3]1[N:15]=[C:16]([NH2:18])[S:17][CH:2]=1 | 1 |
FC(C1=C(C=NC=C1)C(=O)O)(F)F.Br.C(C1=CC=CC=C1)N1N=CSC1=N>>C(C1=CC=CC=C1)N1N=CSC1=NC(=O)C=1C=NC=CC1C(F)(F)F | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH:12]([O:14][Si:15]([C:18]([CH3:21])([CH3:20])[CH3:19])([CH3:17])[CH3:16])[CH2:11][CH:10]([C:22]([OH:24])=O)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:25][C:26]1[CH:32]=[CH:31][C:29]([NH2:30])=[CH:28][CH:27]=1.C(N(CC)C(C)C)(C)C.Cl.C(N=C=NCCCN(C)C)C>O1CCCC1.CN(C)C1C=CN=CC=1.C(OCC)(=O)C>[Si:15]([O:14][CH:12]1[CH2:11][CH:10]([C:22](=[O:24])[NH:30][C:29]2[CH:31]=[CH:32][C:26]([Cl:25])=[CH:27][CH:28]=2)[CH2:9][N:8]([C:6]([O:5][C:1]([CH3:2])([CH3:4])[CH3:3])=[O:7])[CH2:13]1)([C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:17])[CH3:16] | 2 |
[CH2:1]([O:4][C:5]1[CH:13]=[C:12]([S:14][CH3:15])[CH:11]=[CH:10][C:6]=1[C:7]([Cl:9])=O)[CH2:2][CH3:3].Cl.C[O:18][C:19]1[C:24]([NH2:25])=[C:23]([NH2:26])[CH:22]=[CH:21][N:20]=1>>[ClH:9].[CH2:1]([O:4][C:5]1[CH:13]=[C:12]([S:14][CH3:15])[CH:11]=[CH:10][C:6]=1[C:7]1[N:25]=[C:24]2[C:19](=[O:18])[NH:20][CH2:21][CH:22]=[C:23]2[N:26]=1)[CH2:2][CH3:3] | 1 |
C(N(CC)C(C)C)(C)C.O(P(O[C:27]1[C@H:28]([CH3:44])[C@H:29]2[C@@H:39]([C@H:40]([OH:42])[CH3:41])[C:38](=[O:43])[N:30]2[C:31]=1[C:32]([O:34][CH2:35][CH:36]=[CH2:37])=[O:33])(OC1C=CC=CC=1)=O)C1C=CC=CC=1.[CH2:45]([O:48][C:49]([N:51]1[CH2:55][C@@H:54]([SH:56])[CH2:53][C@H:52]1[CH2:57][CH:58]1[CH2:62][CH2:61][NH:60][C:59]1=[O:63])=[O:50])[CH:46]=[CH2:47].C(OCC)(=O)C>C(#N)C>[CH2:45]([O:48][C:49]([N:51]1[CH2:55][C@@H:54]([S:56][C:27]2[C@H:28]([CH3:44])[C@@H:29]3[C@@H:39]([C@H:40]([OH:42])[CH3:41])[C:38](=[O:43])[N:30]3[C:31]=2[C:32]([O:34][CH2:35][CH:36]=[CH2:37])=[O:33])[CH2:53][C@H:52]1[CH2:57][CH:58]1[CH2:62][CH2:61][NH:60][C:59]1=[O:63])=[O:50])[CH:46]=[CH2:47] | 1 |
Br[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[CH:5][C:4]=1[S:12]([O:15][CH2:16][C:17]([CH3:20])([CH3:19])[CH3:18])(=[O:14])=[O:13].[CH2:21]([O:23][P:24]([O:28]CC)[O:25][CH2:26][CH3:27])[CH3:22]>CC1C=CC=CC=1C.C(OCC)(=O)C>[CH2:21]([O:23][P:24]([CH2:2][C:3]1[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[CH:5][C:4]=1[S:12]([O:15][CH2:16][C:17]([CH3:20])([CH3:19])[CH3:18])(=[O:14])=[O:13])([O:25][CH2:26][CH3:27])=[O:28])[CH3:22] | 1 |
ClCC(=O)C1=CC=C(C=C1)F.N1(CCNCC1)C1=CC=C(C=N1)O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)C(CN1CCN(CC1)C1=NC=C(C=C1)OC)=O | 3 |
BrCCO.ClC=1C(=NC(=NC1)NC1=C(C=C(C(=C1)C)C1CCNCC1)F)NC1=NNC(=C1)C>>ClC=1C(=NC(=NC1)NC1=CC(=C(C=C1F)C1CCN(CC1)CCO)C)NC1=NNC(=C1)C | 5 |
[F:1][C:2]1([F:38])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C@H:17]4[C:26]5[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=5)[O:20][C@@H:19]([C:27]5[N:32]=[CH:31][C:30]([C:33]([O:35]CC)=[O:34])=[CH:29][CH:28]=5)[CH2:18]4)=[O:15])[CH2:13][CH2:12]3)=[CH:10][C:4]=2[O:3]1>C1COCC1.CO.[OH-].[Na+]>[F:38][C:2]1([F:1])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C@H:17]4[C:26]5[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=5)[O:20][C@@H:19]([C:27]5[N:32]=[CH:31][C:30]([C:33]([OH:35])=[O:34])=[CH:29][CH:28]=5)[CH2:18]4)=[O:15])[CH2:13][CH2:12]3)=[CH:10][C:4]=2[O:3]1 | 2 |
C(OC([NH:8][C:9]12[CH2:16][CH2:15][C:12]([C:17]([N:19]([C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)[CH3:20])=[O:18])([CH2:13][CH2:14]1)[CH2:11][CH2:10]2)=O)(C)(C)C.Cl>O1CCOCC1>[NH2:8][C:9]12[CH2:16][CH2:15][C:12]([C:17]([N:19]([C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)[CH3:20])=[O:18])([CH2:13][CH2:14]1)[CH2:11][CH2:10]2 | 1 |
FC(CO)(F)F.BrC=1C(=NC=C(C1)Cl)F>O.CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C(=NC=C(C1)Cl)OCC(F)(F)F | 3 |
C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=CC(=C(C=C1)Br)F)OCC1=CC=CC=C1.C(C1=CC=CC=C1)OC(NC1CCN(CC1)C1CC2(C1)CCNCC2)=O>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].ClC1=CN=CC=C1.C(CC(CCC)C2=C(C(=CC=C2)C(CCC)CCC)N4C(=C(N(C3=C(C=CC=C3C(CCC)CCC)C(CCC)CCC)C4=[Pd](Cl)Cl)Cl)Cl)C>C(C1=CC=CC=C1)OC(NC1CCN(CC1)C1CC2(C1)CCN(CC2)C2=C(C=C(C=C2)C=2C(=NC(=CC2)OCC2=CC=CC=C2)OCC2=CC=CC=C2)F)=O | 3 |
[O:1]=[C:2]1[CH2:7][CH2:6][C:5]([CH3:9])([CH3:8])[C:4]([CH:10]=[CH:11][C:12]([CH3:16])([OH:15])[CH:13]=[CH2:14])=[C:3]1[CH3:17].C(N(CC)CC)C.[CH3:25][Si:26]([CH3:29])([CH3:28])Cl.C(=O)([O-])O.[Na+]>CN(C)C=O.CCCCCC>[CH3:25][Si:26]([CH3:29])([CH3:28])[O:15][C:12]([CH3:16])([CH:13]=[CH2:14])[CH:11]=[CH:10][C:4]1[C:5]([CH3:8])([CH3:9])[CH2:6][CH:7]=[C:2]([O:1][Si:26]([CH3:29])([CH3:28])[CH3:25])[C:3]=1[CH3:17] | 1 |
COCCO.CC(=O)C=1C=CC(=CC1O)O>>OC1=C(C=CC(=C1)OCCOC)C(C)=O | 5 |
Cl.[CH:2]1[C:12]2[CH:11]=[CH:10][C:9]3[CH:13]=[CH:14][CH:15]=[CH:16][C:8]=3[C:7](=[C:17]3[CH2:22][CH2:21][N:20](C(N)C=O)[CH2:19][CH2:18]3)[C:6]=2[CH:5]=[CH:4][CH:3]=1.[CH2:27]([N:29](CC)CC)[CH3:28].Cl[C:35]([O:37][CH2:38][CH3:39])=[O:36].C(=O)([O-])[OH:41].[Na+]>ClCCl>[CH:13]1[C:9]2[CH:10]=[CH:11][C:12]3[CH:2]=[CH:3][CH:4]=[CH:5][C:6]=3[C:7](=[C:17]3[CH2:22][CH2:21][N:20]([C:28](=[O:41])[CH2:27][NH:29][C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:19][CH2:18]3)[C:8]=2[CH:16]=[CH:15][CH:14]=1 | 1 |
N[C:2]1[C:3]([C:14]([O:16][CH3:17])=[O:15])=[N:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:6][N:7]=1.N([O-])=[O:19].[Na+]>C(O)(=O)C.Cl>[OH:19][C:2]1[C:3]([C:14]([O:16][CH3:17])=[O:15])=[N:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:6][N:7]=1 | 1 |
C([O:5][C:6](=[O:27])[NH:7][CH:8]([C:15](=[O:26])[NH:16][C:17]1[CH:22]=[CH:21][C:20]([CH:23]([CH3:25])[CH3:24])=[CH:19][CH:18]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)(C)(C)C>C(O)=O>[CH:6]([OH:27])=[O:5].[NH2:7][CH:8]([C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1)[C:15]([NH:16][C:17]1[CH:22]=[CH:21][C:20]([CH:23]([CH3:25])[CH3:24])=[CH:19][CH:18]=1)=[O:26] | 2 |
OC1=CC=C(C=O)C=C1.C(CCCCCCCCC)Br>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>C(CCCCCCCCC)OC1=CC=C(C=O)C=C1 | 3 |
COCCBr.N1N=CC(=C1)C1=CC=C(C(=O)OC)C=C1>>COCCN1N=CC(=C1)C1=CC=C(C(=O)OC)C=C1 | 5 |
BrC1=CN=C2OCCNC2=C1.BrC=1C=C(C(=O)Cl)C=C(C1OC)Br>>BrC1=CC2=C(OCCN2C(=O)C2=CC(=C(C(=C2)Br)OC)Br)N=C1 | 5 |
BrC=1C=C(C(=NC1)C(=O)O)C>CO[H].ClS(Cl)=O>BrC=1C=C(C(=NC1)C(=O)OC)C | 3 |
C(C)N1N=C(C=2C(N(C=CC21)CC(F)(F)F)=O)NC(OC(C)(C)C)=O>Cl.C(C)(=O)OCC>Cl.NC1=NN(C2=C1C(N(C=C2)CC(F)(F)F)=O)CC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:15]=[C:16]([Cl:18])[CH:17]=1)[CH2:5][NH:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=1.[C:19]([C:21]1[CH:22]=[C:23]([S:27](Cl)(=[O:29])=[O:28])[CH:24]=[CH:25][CH:26]=1)#[N:20].CCN(CC)CC.S(Cl)(Cl)(=O)=O>C1COCC1>[C:19]([C:21]1[CH:22]=[C:23]([S:27]([N:6]([CH2:5][C:4]2[CH:3]=[C:2]([Cl:1])[CH:17]=[C:16]([Cl:18])[CH:15]=2)[CH2:7][C:8]2[CH:9]=[CH:10][C:11]([F:14])=[CH:12][CH:13]=2)(=[O:29])=[O:28])[CH:24]=[CH:25][CH:26]=1)#[N:20] | 1 |
NCC1N(CCC1)CC.ClC1=NC(=NC(=N1)NCC1CCCCC1)NC1=CC(=C(C=C1)OC)F>O.[OH-].[Na+].CC(=O)C.O1CCOCC1.N>C1(CCCCC1)CNC1=NC(=NC(=N1)NCC1N(CCC1)CC)NC1=CC(=C(C=C1)OC)F | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([OH:12])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6].[C:13](=O)([O-])[O-].[K+].[K+].IC>CC(C)=O>[OH:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([O:12][CH3:13])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6] | 1 |
ClC=1N=C(C2=C(N1)C(=NC=C2)C=2N=CN(C2)C)O>CO[H].[Na]>COC=1N=C(C2=C(N1)C(=NC=C2)C=2N=CN(C2)C)O | 3 |
C1(CC1)C1=NN2C(N(C(C(CC2)NC(=O)C2=NNC=N2)=O)C)=C1.Cl.ClCC1=CC(=NC=C1)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C1(CC1)C1=NN2C(N(C(C(CC2)NC(=O)C2=NN(C=N2)CC2=CC(=NC=C2)C)=O)C)=C1 | 3 |
Br[C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1.C(O)C.C(=O)([O-])[O-].[Na+].[Na+].C(O)(O)CC.[N:26]1[CH:31]=[CH:30][CH:29]=[C:28](B(O)O)[CH:27]=1>C1(C)C=CC=CC=1.C(OCC)(=O)C>[N:26]1[CH:31]=[CH:30][CH:29]=[C:28]([C:2]2[CH:10]=[C:9]3[C:5]([CH2:6][C:7](=[O:11])[NH:8]3)=[CH:4][CH:3]=2)[CH:27]=1 | 1 |
C(C)(C)(C)[Si](C)(C)Cl.S1C=C(C=C1)CCO>>C(C)(C)(C)[Si](OCCC1=CSC=C1)(C)C | 5 |
[CH3:1][N:2](S(C1C=CC=CC=1)(=O)=O)[N:3]=[C:4](Cl)[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[Cl:11].[F:22][C:23]1[CH:30]=[CH:29][C:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])=[CH:27][C:24]=1[C:25]#[N:26].[Cl-].[Al+3].[Cl-].[Cl-].ClC1C=CC=CC=1Cl>C(Cl)(Cl)Cl>[Cl:11][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=1[C:4]1[N:26]=[C:25]([C:24]2[CH:27]=[C:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[CH:29]=[CH:30][C:23]=2[F:22])[N:2]([CH3:1])[N:3]=1 | 1 |
O1C(CCCC1)OC1=CC=C(C=CC(=O)O[C@H]2COC3C2OC[C@H]3OC3OCCCC3)C=C1>CCO[H].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>OC1=CC=C(C=CC(=O)O[C@H]2COC3C2OC[C@H]3O)C=C1 | 3 |
O=C1[C@@H]([C@H]2CC(=C(N12)C(=O)OCC=C)C1=CC=C(C=C1)OCC(N1C(OCC1)=O)=O)[C@@H](C)O[Si](C)(C)C>>O[C@H](C)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)C1=CC=C(C=C1)OCC(N1C(OCC1)=O)=O | 5 |
CN.ClC=1N=C(C2=C(N1)C(=CS2)CCC)Cl>>ClC=1N=C(C2=C(N1)C(=CS2)CCC)NC | 5 |
C1(CCCC1)C1(OC(CC(C1)=O)=O)CCC1=CC(=C(C=C1)OC(C)=O)CC>>C1(CCCC1)C1(CC(CC(O1)=O)=O)CCC1=CC(=C(C=C1)O)CC | 5 |
ClC1=NC=C(C(=C1)C(F)(F)F)Cl.CN(S(=O)(=O)NC(C1=C(C=C(C(=C1)F)O)F)=O)C>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C(=CC(=NC1)OC1=CC(=C(C(=O)NS(N(C)C)(=O)=O)C=C1F)F)C(F)(F)F | 3 |
[C:1]([Br:4])(=[O:3])C.[C:5]([O:8][CH2:9][C@@H:10]1[C@@H:14]([CH2:15][O:16][C:17](=[O:19])[CH3:18])[O:13][CH2:12][O:11]1)(=[O:7])[CH3:6].[CH:20]1C=CC=CC=1>[Cl-].[Zn+2].[Cl-]>[Br:4][CH2:1][O:3][C@@H:10]([C@H:14]([O:13][C:12](=[O:11])[CH3:20])[CH2:15][O:16][C:17](=[O:19])[CH3:18])[CH2:9][O:8][C:5](=[O:7])[CH3:6] | 1 |
[CH3:1][CH:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[S:6][C:5]2[S:13][CH:14]=[CH:15][C:4]=2[C:3]1=[O:16].[BH4-].[Na+]>C(O)C>[CH3:1][CH:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[S:6][C:5]2[S:13][CH:14]=[CH:15][C:4]=2[CH:3]1[OH:16] | 1 |
Br[C:2]1[S:6][C:5]([C:7]2[S:8][C:9]3[N:10]=[C:11]([C:15]4[S:16][C:17](Br)=[C:18]([Br:34])[C:19]=4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[S:12][C:13]=3[N:14]=2)=[C:4]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[C:3]=1[Br:50].Cl.C(O)(=O)C.C(O)C>[Zn].C1(C)C=CC=CC=1>[Br:50][C:3]1[C:4]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])=[C:5]([C:7]2[S:8][C:9]3[N:10]=[C:11]([C:15]4[S:16][CH:17]=[C:18]([Br:34])[C:19]=4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[S:12][C:13]=3[N:14]=2)[S:6][CH:2]=1 | 1 |
Cl[C:2]([O:4][CH3:5])=[O:3].[Cl:6][C:7]1[C:12]([N:13]2[CH2:18][CH2:17][CH:16]3[NH:19][CH2:20][CH2:21][CH:15]3[CH2:14]2)=[CH:11][C:10]([C:22]#[N:23])=[CH:9][C:8]=1[NH:24][C:25]1[N:30]=[C:29]([N:31]([CH:41]2[CH2:43][CH2:42]2)[CH2:32][C:33]2[CH:38]=[CH:37][C:36]([O:39][CH3:40])=[CH:35][CH:34]=2)[C:28]2=[N:44][CH:45]=[C:46]([C:47]#[N:48])[N:27]2[N:26]=1.C(N(CC)CC)C>ClCCl>[Cl:6][C:7]1[C:8]([NH:24][C:25]2[N:30]=[C:29]([N:31]([CH:41]3[CH2:42][CH2:43]3)[CH2:32][C:33]3[CH:34]=[CH:35][C:36]([O:39][CH3:40])=[CH:37][CH:38]=3)[C:28]3=[N:44][CH:45]=[C:46]([C:47]#[N:48])[N:27]3[N:26]=2)=[CH:9][C:10]([C:22]#[N:23])=[CH:11][C:12]=1[N:13]1[CH2:18][CH2:17][CH:16]2[N:19]([C:2]([O:4][CH3:5])=[O:3])[CH2:20][CH2:21][CH:15]2[CH2:14]1 | 1 |
[F:1][C:2]([F:19])([F:18])[CH:3]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([CH:11]2[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2)[C:6]=1[F:17])[OH:4].C(=O)([O-])[O-].[K+].[K+].I[CH2:27][CH3:28].CS(OC1C=CC=C(C2CCNCC2)C=1F)(=O)=O>C(#N)C>[CH2:27]([N:14]1[CH2:13][CH2:12][CH:11]([C:7]2[C:6]([F:17])=[C:5]([CH:3]([OH:4])[C:2]([F:1])([F:18])[F:19])[CH:10]=[CH:9][CH:8]=2)[CH2:16][CH2:15]1)[CH3:28] | 2 |
OCCCCCCCCCCCCNC(=O)C=1C=NC(=CC1)N1CCN(CC1)CC>C(Cl)(Cl)(Cl)[H].c1ccncc1.CCN(CC)CC.CS(=O)(=O)Cl>S(=O)(=O)(C)OCCCCCCCCCCCCNC(=O)C=1C=NC(=CC1)N1CCN(CC1)CC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:17][N:18]2[C:22]([CH3:23])=[CH:21][C:20]([NH:24][C:25]([CH:27]3[CH2:30][NH:29][CH2:28]3)=[O:26])=[N:19]2)[C:5]2[O:9][C:8]([C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)=[CH:7][C:6]=2[CH:16]=1.C(N1CC[O:36][CH2:35][CH2:34]1)C.C(OC(=O)C)(=O)C>ClCCl>[C:35]([N:29]1[CH2:30][CH:27]([C:25]([NH:24][C:20]2[CH:21]=[C:22]([CH3:23])[N:18]([CH2:17][C:4]3[C:5]4[O:9][C:8]([C:10]5[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=5)=[CH:7][C:6]=4[CH:16]=[C:2]([Cl:1])[CH:3]=3)[N:19]=2)=[O:26])[CH2:28]1)(=[O:36])[CH3:34] | 2 |
BrCC(=O)OCC.O=C1SC(C(N1)=O)=CC1=CC=C(OC2=C(C(=NC=N2)OC2CCN(CC2)C(=O)OC(C)(C)C)C)C=C1>N(C)(C)C=O.[H-].[Na+]>C(C)OC(CN1C(S\C(\C1=O)=C/C1=CC=C(OC2=C(C(=NC=N2)OC2CCN(CC2)C(=O)OC(C)(C)C)C)C=C1)=O)=O | 3 |
CI.BrC=1C=CC2=C(C(NC3=C(O2)C=CC(=C3)OC(F)(F)F)=O)C1>N(C)(C)C=O.[H-].[Na+]>BrC=1C=CC2=C(C(N(C3=C(O2)C=CC(=C3)OC(F)(F)F)C)=O)C1 | 3 |
COC1=C(C(=CC=C1)CO)CO>>COC1=C(C(=CC=C1)C=O)C=O | 5 |
C(C1=CC=CC=C1)(=O)C1=CC(=C(C=C1OC)C[C@@H](C)NC(C(F)(F)F)=O)OC>C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>C(C1=CC=CC=C1)C1=CC(=C(C=C1OC)C[C@@H](C)NC(C(F)(F)F)=O)OC | 3 |
COC(CN(C(=O)C1CCCCC1)C1=NC=CC=C1)OC>ClCCl.Cl.C([O-])([O-])=O.[Na+].[Na+].C1=CC(=CC=C1O)O>C(=O)CN(C(=O)C1CCCCC1)C1=NC=CC=C1 | 3 |
COC(=O)C=1N=C(SC1)NC(=O)OC(C)(C)C>CC#N.IN1C(CCC1=O)=O.[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C)(C)(C)OC(=O)NC=1SC(=C(N1)C(=O)OC)I | 3 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][NH:11][C:12](=[O:45])[CH:13]([N:20]3[CH2:26][CH2:25][CH2:24][C:23]4[CH:27]=[C:28]([O:32][CH3:33])[C:29]([OH:31])=[CH:30][C:22]=4[CH:21]3[CH2:34][C:35]3[CH:40]=[CH:39][C:38]([O:41][CH3:42])=[C:37]([O:43][CH3:44])[CH:36]=3)[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[CH:9][C:4]=2[O:3][CH2:2]1.Br[CH:47]([CH3:49])[CH3:48]>>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][NH:11][C:12](=[O:45])[CH:13]([N:20]3[CH2:26][CH2:25][CH2:24][C:23]4[CH:27]=[C:28]([O:32][CH3:33])[C:29]([O:31][CH:47]([CH3:49])[CH3:48])=[CH:30][C:22]=4[CH:21]3[CH2:34][C:35]3[CH:40]=[CH:39][C:38]([O:41][CH3:42])=[C:37]([O:43][CH3:44])[CH:36]=3)[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[CH:9][C:4]=2[O:3][CH2:2]1 | 1 |
CON(C(=O)C=1N=C(SC1)C1CCN(CC1)C(=O)OC(C)(C)C)C.C1(CCCCC1)C[Mg]Cl>>C1(CCCCC1)CC(=O)C=1N=C(SC1)C1CCN(CC1)C(=O)OC(C)(C)C | 5 |
[CH:1]1([C:4]2[C:5]([N:24]([CH2:29][CH2:30][CH2:31][CH2:32][OH:33])[S:25]([CH3:28])(=[O:27])=[O:26])=[CH:6][C:7]3[O:11][C:10]([C:12]4[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=4)=[C:9]([C:19](=[NH:22])[NH:20][OH:21])[C:8]=3[CH:23]=2)[CH2:3][CH2:2]1.[CH:34](=O)[CH3:35].Cl>C(O)C.O.C(OCC)(=O)C>[CH:1]1([C:4]2[C:5]([N:24]([CH2:29][CH2:30][CH2:31][CH2:32][OH:33])[S:25]([CH3:28])(=[O:26])=[O:27])=[CH:6][C:7]3[O:11][C:10]([C:12]4[CH:13]=[CH:14][C:15]([F:18])=[CH:16][CH:17]=4)=[C:9]([C:19]4[NH:22][CH:34]([CH3:35])[O:21][N:20]=4)[C:8]=3[CH:23]=2)[CH2:2][CH2:3]1 | 1 |
C(CC(C)C)=O>C(C)OCC.BrBr.O1CCOCC1.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>BrC(CC=O)(C)C | 3 |
C(C)C(=O)C.C(C(=O)OCC)(=O)OCC>CCO[H].[H-].[Na+]>O=C(C(=O)OCC)CC(CC)=O | 3 |
C(C)OC(CN=[N+]=[N-])=O.C1(CC1)C#C>>C1(CC1)C=1N=NN(C1)CC(=O)OCC | 5 |
[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[OH:11])[C:5]([OH:7])=O.[F:12][C:13]1[CH:14]=[CH:15][C:16]([O:19][CH2:20][C@@H:21]2[CH2:26][CH2:25][C@H:24]([CH2:27][NH2:28])[CH2:23][CH2:22]2)=[N:17][CH:18]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[OH:11])[C:5]([NH:28][CH2:27][C@H:24]1[CH2:25][CH2:26][C@@H:21]([CH2:20][O:19][C:16]2[CH:15]=[CH:14][C:13]([F:12])=[CH:18][N:17]=2)[CH2:22][CH2:23]1)=[O:7] | 2 |
Br[C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[S:10][C:11]3[CH:17]=[CH:16][CH:15]=[CH:14][C:12]=3[N:13]=2)=[CH:4][CH:3]=1.FC1C=C([B:25]2[O:29][C:28]([CH3:31])([CH3:30])[C:27]([CH3:33])([CH3:32])[O:26]2)C=CC=1NC1OC2C=CC=CC=2N=1>>[CH3:32][C:27]1([CH3:33])[C:28]([CH3:31])([CH3:30])[O:29][B:25]([C:2]2[CH:7]=[CH:6][C:5]([NH:8][C:9]3[S:10][C:11]4[CH:17]=[CH:16][CH:15]=[CH:14][C:12]=4[N:13]=3)=[CH:4][CH:3]=2)[O:26]1 | 1 |
CC(=O)C1=C(C=CC=C1F)F>>FC1=C(C(=CC=C1[N+](=O)[O-])F)C(C)=O | 5 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[CH2:11][N:12]1[C:17]2[C:18]([N+:22]([O-])=O)=[CH:19][CH:20]=[CH:21][C:16]=2[O:15][CH2:14][C:13]1=[O:25].O1CCOCC1>CO.[Pd]>[NH2:22][C:18]1[C:17]2[N:12]([CH2:11][C:2]3[CH:3]=[CH:4][C:5]4[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=4)[CH:1]=3)[C:13](=[O:25])[CH2:14][O:15][C:16]=2[CH:21]=[CH:20][CH:19]=1 | 1 |
C([O:3][C:4]([C@@H:6]1[CH2:11][CH2:10][CH2:9][N:8]([CH2:12][CH2:13][CH2:14][O:15][CH2:16][CH:17]=[C:18]2[C:24]3[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=3[CH2:22][CH2:21][C:20]3[CH:29]=[CH:30][CH:31]=[CH:32][C:19]2=3)[CH2:7]1)=[O:5])C.[OH-].[Na+].Cl.[Cl:36]CCl>C(O)C>[ClH:36].[CH:29]1[C:20]2[CH2:21][CH2:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=3[C:18](=[CH:17][CH2:16][O:15][CH2:14][CH2:13][CH2:12][N:8]3[CH2:9][CH2:10][CH2:11][C@@H:6]([C:4]([OH:5])=[O:3])[CH2:7]3)[C:19]=2[CH:32]=[CH:31][CH:30]=1 | 1 |
C(C1=CC=CC=C1)OC1=CC=C(C(=O)O)C=C1.Cl.N1(CCNCC1)C1=NC2=CC=CC=C2C(N1)=O>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C1(=CC=CC=C1)COC1=CC=C(C(=O)N2CCN(CC2)C2=NC3=CC=CC=C3C(N2)=O)C=C1 | 3 |
O1CCC(C=2C1=NC=CC2)O>>ClC1CCOC2=NC=CC=C21 | 5 |
Cl.C(C1=CC=CC=C1)N1CC(OCC1)C(=O)O.COC1=CC2=C(NC(=N2)C2=NNC=C2N)C=C1OC>>COC1=CC2=C(NC(=N2)C2=NNC=C2NC(=O)C2CN(CCO2)CC2=CC=CC=C2)C=C1OC | 5 |
CN(C=C(C(CC)=O)C1=CC=CC=C1)C>CCO[H].O.NN>C(C)C1=C(C=NN1)C1=CC=CC=C1 | 3 |
O=C1N(CC2=CC=C(C=C12)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C(C(NC=1SC=CN1)=O)C1=CC=CC=C1>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.O=C1N(CC2=CC(=CC=C12)C1=CC=CC=C1)C(C(=O)NC=1SC=CN1)C1=CC=CC=C1 | 3 |
C(C1OC1)Cl.B(F)(F)F.[CH3:10][CH2:11][O:12][CH2:13][CH3:14].[F:15][B-:16]([F:19])([F:18])[F:17].[CH2:20]([O+:22]([CH2:25][CH3:26])[CH2:23][CH3:24])[CH3:21].[CH3:27][N:28]1C=C[CH:31]=[CH:30][C:29]1=O>CCOCC.C(Cl)Cl>[F:15][B-:16]([F:19])([F:18])[F:17].[CH2:20]([O+:22]([CH2:25][CH3:26])[CH2:23][CH3:24])[CH3:21].[F:15][B-:16]([F:19])([F:18])[F:17].[CH2:11]([O:12][C:13]1[CH:14]=[CH:31][CH:30]=[CH:29][N+:28]=1[CH3:27])[CH3:10] | 1 |
C(C1=CC=CC=C1)Br.OC=1C=NC(=NC1)N>>C(C1=CC=CC=C1)OC=1C=NC(=NC1)N | 5 |
[CH:1]1[CH:2]=[CH:3][C:4]([C@@H:7]2[N:16]([C:17]([O:19][C@@H:20]3[CH:25]4[CH2:26][CH2:27][N:22]([CH2:23][CH2:24]4)[CH2:21]3)=[O:18])[CH2:15][CH2:14][C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]2=3)=[CH:5][CH:6]=1.[C:28]([OH:35])(=[O:34])[CH2:29][CH2:30][C:31]([OH:33])=[O:32]>C(OC(C)C)(C)C>[CH:1]1[CH:6]=[CH:5][C:4]([C@@H:7]2[N:16]([C:17]([O:19][C@@H:20]3[CH:25]4[CH2:24][CH2:23][N:22]([CH2:27][CH2:26]4)[CH2:21]3)=[O:18])[CH2:15][CH2:14][C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]2=3)=[CH:3][CH:2]=1.[CH2:29]([C:28]([OH:35])=[O:34])[CH2:30][C:31]([OH:33])=[O:32] | 2 |
COC(=O)C=1N=C(OC1C1=CC=C(C=C1)C(NO)=N)C1=CC=C(C=C1)C(F)(F)F>>COC(=O)C=1N=C(OC1C1=CC=C(C=C1)C(NOC(C)=O)=N)C1=CC=C(C=C1)C(F)(F)F | 5 |
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([N:13]1[C:22]2[C:17](=[CH:18][CH:19]=[C:20]([C:23]3[N:28]=[C:27]([C:29]([O:31]C)=[O:30])[C:26]([C:33]4[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=4)=[CH:25][CH:24]=3)[CH:21]=2)[CH2:16][CH2:15][CH2:14]1)=[O:12].[Li+].[OH-]>CO.O>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([N:13]1[C:22]2[C:17](=[CH:18][CH:19]=[C:20]([C:23]3[N:28]=[C:27]([C:29]([OH:31])=[O:30])[C:26]([C:33]4[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=4)=[CH:25][CH:24]=3)[CH:21]=2)[CH2:16][CH2:15][CH2:14]1)=[O:12] | 1 |
C(N(CC)CC)C.[Br:8][C:9]1[CH:21]=[CH:20][C:12]([O:13][C@@H:14]2[CH2:18][O:17][CH2:16][C@H:15]2[OH:19])=[CH:11][CH:10]=1.[CH3:22][S:23](Cl)(=[O:25])=[O:24].O>C(Cl)Cl>[CH3:22][S:23]([O:19][C@H:15]1[C@H:14]([O:13][C:12]2[CH:20]=[CH:21][C:9]([Br:8])=[CH:10][CH:11]=2)[CH2:18][O:17][CH2:16]1)(=[O:25])=[O:24] | 1 |
[Cl:1][C:2]1[N:3]=[N:4][C:5](Cl)=[CH:6][CH:7]=1.[CH3:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[OH:16].C(=O)([O-])[O-].[K+].[K+]>C(OC(=O)C)C>[Cl:1][C:2]1[N:3]=[N:4][C:5]([O:16][C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[CH3:9])=[CH:6][CH:7]=1 | 1 |
NC1CCN(CC1)C(=O)OC(C)(C)C.BrC=1C=C(C(=NC1)NC(C)=O)C>>C(C)(C)(C)OC(=O)N1CCC(CC1)NC=1C=NC(=C(C1)C)N | 5 |
C(C)C1=CC=C(C(=O)Cl)C=C1.Cl.NCC=1C=C2C(N(C(C2=CC1)=O)[C@@]1(C(NC(CC1)=O)=O)C)=O>>C(C)C1=CC=C(C(=O)NCC=2C=C3C(N(C(C3=CC2)=O)[C@@]2(C(NC(CC2)=O)=O)C)=O)C=C1 | 5 |
C(O[C:4]1[C:5](=[O:17])[C:6](=[O:16])[C:7]=1[NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[OH:15])C.[CH2:18]([C:21]1[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=1[NH2:23])[CH2:19][CH3:20]>CS(C)=O>[CH2:18]([C:21]1[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=1[NH:23][C:4]1[C:5](=[O:17])[C:6](=[O:16])[C:7]=1[NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[OH:15])[CH2:19][CH3:20] | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.