smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=C(C(=NC1)C(CNCCO)O)Cl>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+]>BrC=1C=C(C(=NC1)C(CN(C(OC(C)(C)C)=O)CCO)O)Cl | 3 |
[NH2:1][C:2]1[C:11]([C:12]([O:14][CH3:15])=[O:13])=[C:10]2[C:5]([CH:6]3[CH2:16][CH:7]3[CH2:8][O:9]2)=[CH:4][CH:3]=1.N1C=CC=CC=1.[Br:23][C:24]1[CH:29]=[C:28]([F:30])[CH:27]=[CH:26][C:25]=1[S:31](Cl)(=[O:33])=[O:32]>C(Cl)Cl>[Br:23][C:24]1[CH:29]=[C:28]([F:30])[CH:27]=[CH:26][C:25]=1[S:31]([NH:1][C:2]1[C:11]([C:12]([O:14]... | 1 |
CC1CCCN(C)C1(C)C.C([Li])CCC.[CH3:16][C:17]([CH3:22])([CH2:20][CH3:21])[CH:18]=[O:19].[F:23][C:24]([F:37])([F:36])[C:25]1[CH:30]=[CH:29][C:28]([C:31]2[O:32][CH:33]=[N:34][N:35]=2)=[CH:27][CH:26]=1>O1CCCC1.C(OCC)(=O)C>[CH3:16][C:17]([CH3:22])([CH2:20][CH3:21])[CH:18]([C:33]1[O:32][C:31]([C:28]2[CH:27]=[CH:26][C:25]([C:24... | 2 |
CC(C)(C#C)O.COC([C@H]1N(C[C@H](C1)N=[N+]=[N-])C(=O)OC(C)(C)C)=O>O1CCOCC1.C[C-]1C(=C(C(=C1C)C)C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru+]>OC(C)(C)C1=CN=NN1[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
[C:1]([O:5][C:6](=[O:33])[N:7]([C:9]([C:25]1[CH:30]=[CH:29][C:28]([Cl:31])=[C:27]([Cl:32])[CH:26]=1)([CH2:15][N:16]([CH3:24])[C:17](=[O:23])[CH2:18][C:19]([F:22])([F:21])[F:20])[CH2:10][CH:11]([OH:14])CO)[CH3:8])([CH3:4])([CH3:3])[CH3:2].I([O-])(=O)(=O)=O.[Na+]>O1CCCC1.O>[C:1]([O:5][C:6](=[O:33])[N:7]([C:9]([C:25]1[CH:... | 1 |
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([S:8]([N:11]2[C:15]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[CH:14][C:13]([CH:22]=O)=[CH:12]2)(=[O:10])=[O:9])=[CH:4][C:3]=1[CH3:24].[CH3:25][NH2:26].[BH4-].[Na+].[C:29](=[O:32])([O-])[OH:30].[Na+]>O1CCCC1.CO.O>[Cl:1][C:2]1[N:7]=[CH:6][C:5]([S:8]([N:11]2[C:15]([C:16]3[CH:21]=[CH:20... | 1 |
[CH2:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][N:2]1[C:11]1[N:12]=[C:13]([C:22](O)=[O:23])[CH:14]=[C:15]2[C:19]([CH3:20])=[C:18]([CH3:21])[NH:17][C:16]=12.O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.C(N(C(C)C)CC)(C)C.[CH3:57][N:58]1[CH2:63][CH2:62][NH:61][CH2:60][CH2:59]1>ClCCl>[CH2:1]1[C:10]2[C:5](=[CH:6... | 1 |
[Br-].C[Mg+].BrC1=CC=C(C=C1)C1=NSC2=C1C=CC(=C2)OCC(=O)N(C)OC>C1CCCO1>BrC1=CC=C(C=C1)C1=NSC2=C1C=CC(=C2)OCC(C)=O | 3 |
CN1CCNCC1.ClC1=CC=C(C=C1)C1C(N=C(N1C(=O)Cl)C1=C(C=C(C=C1)OC)OCC)CC1CCCC1>ClCCl.CCN(CC)CC>ClC1=CC=C(C=C1)C1C(N=C(N1C(=O)N1CCN(CC1)C)C1=C(C=C(C=C1)OC)OCC)CC1CCCC1 | 3 |
COC([C@H](C(C)(C)NC(=O)OC(C)(C)C)NC(C1=CC=C(C=C1)C#CC#CC1OC(OCC1)C1=CC=CC=C1)=O)=O>>NC([C@@H](C(=O)OC)NC(C1=CC=C(C=C1)C#CC#CC(CCO)O)=O)(C)C | 5 |
[Cl:1][C:2]1[C:3]([F:16])=[C:4]([CH:7]=[C:8]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[CH:9]=1)[C:5]#[N:6].B.C1COCC1>C1COCC1>[Cl:1][C:2]1[C:3]([F:16])=[C:4]([CH:7]=[C:8]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[CH:9]=1)[CH2:5][NH2:6] | 1 |
SCC(=O)O.BrC1=C(C=O)C(=CC=C1)F>N(C)(C)C=O.[OH-].[K+]>BrC1=CC2=C(C=C(S2)C(=O)O)C=C1 | 3 |
C(C=C)(=O)Cl.C([C@@H](O)C)(=O)OC1CCCCC1>ClCCl.CCN(CC)CC.Cl>C(C=C)(=O)O[C@H](C(=O)OC1CCCCC1)C | 3 |
CI.C(=O)(OC(C)(C)C)N[C@@H](CC)C(=O)O>>C(C)(C)(C)OC(=O)N([C@H](C(=O)O)CC)C | 5 |
[C:1]([C:3]1[CH:21]=[CH:20][C:6]([C:7]([N:9]2[C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=3[CH2:13][CH2:12][CH2:11][CH2:10]2)=[O:8])=[CH:5][CH:4]=1)#[N:2].Cl>CO.[Pd]>[NH2:2][CH2:1][C:3]1[CH:4]=[CH:5][C:6]([C:7]([N:9]2[C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=3[CH2:13][CH2:12][CH2:11][CH2:10]2)=[O:8])=[CH:20][CH:21]=1 | 1 |
C(C)(C)(C)OC(=O)N(CCC1=CC=C(C=C1)C1=CC(=C(C=C1)CC(=O)O)OC1CCCCC1)C[C@@H](C1=CC=CC=C1)O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>C1(CCCCC1)OC=1C=C(C=CC1CC(=O)NS(=O)(=O)C)C1=CC=C(C=C1)CCN(C(OC(C)(C)C)=O)C[C@@H](C1=CC=CC=C1)O | 3 |
IC1=CC=C(CO)C=C1.Cl.C(#C)C1=CC=NC=C1>CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1=CC=C(C=C1)C#CC1=CC=C(C=C1)CO | 3 |
ClC=1C(C2=CC=CC=C2C(C1Cl)=O)=O.ClC1=CC=C(C=C1)C1CCC(CC1)C(=O)O>CC#N.O.[N+](=O)([O-])[O-].[Ag+].S(=O)(=O)([O-])OOS(=O)(=O)[O-].[NH4+].[NH4+]>ClC1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)C=1C(C2=CC=CC=C2C(C1Cl)=O)=O | 3 |
C1(C)C=CC=CC=1.Cl.[NH2:9][CH2:10][CH2:11][SH:12].C(N(CC)CC)C.[CH3:20][C:21]1[CH:40]=[CH:39][C:38]([CH3:41])=[CH:37][C:22]=1[O:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[C:31](=[N:34][O:35][CH3:36])[CH:32]=O>[Cl-].[Na+].O.C(O)CCC>[CH3:36][O:35][N:34]=[C:31]([CH:32]1[NH:9][CH2:10][CH2:11][S:12]1)[C:26]1[CH:... | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H](NCC1)C(C)C.FC=1C=CC(=NC1)[N+](=O)[O-]>O.C(C)OCC.C(C)(=O)OCC.CS(=O)C.C(C)(C)N(C(C)C)CC>C(C)(C)[C@H]1CN(CCN1C=1C=NC(=CC1)[N+](=O)[O-])C(=O)OC(C)(C)C | 3 |
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[O:11][CH3:12].C[N:14](C=O)C.[C:18](Cl)(=[O:22])[C:19](Cl)=O>C(Cl)Cl>[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH:14][CH2:19][CH2:18][OH:22])=[O:8])=[CH:4][C:3]=1[O:11][CH3:12] | 2 |
[N:1]1[CH:6]=[CH:5][C:4]([N:7]2[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]2)=[CH:3][CH:2]=1.Br[CH2:14][CH2:15][N:16]1[C:20](=[O:21])[C:19]2=[CH:22][CH:23]=[CH:24][CH:25]=[C:18]2[C:17]1=[O:26].C(=O)([O-])[O-].[K+].[K+].[I-].[K+]>CN(C)C=O>[N:1]1[CH:6]=[CH:5][C:4]([N:7]2[CH2:8][CH2:9][N:10]([CH2:14][CH2:15][N:16]3[C:17](=[O:26]... | 1 |
C(C)OC(C1=CC(=CC=C1)NC(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(=O)NC=1C=C(C(=O)O)C=CC1 | 5 |
Cl.ClCCN1CCOCC1.[N+](=O)([O-])C=1C=C(C=CC1[N+](=O)[O-])O>>[N+](=O)([O-])C=1C=C(OCCN2CCOCC2)C=CC1[N+](=O)[O-] | 5 |
BrC=1C=CC(=C(C(=O)O)C1)C.BrC=1C(=C(C(=O)OC)C=CC1)C>CO[H]>BrC=1C=C(C(=O)OC)C(=CC1)C | 3 |
BrCC=1C=NC2=C(C(=CC(=C2C1)Cl)[N+](=O)[O-])OC>C1CCCO1.N1CCCCC1>ClC1=C2C=C(C=NC2=C(C(=C1)[N+](=O)[O-])OC)CN1CCCCC1 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[CH2:14][CH2:13][CH2:12][CH2:11][C@@H:10]2[N+:15]([O-])=O)=[CH:5][C:4]=1[O:18][CH3:19].C(O)(=O)C>C(O)C.[Zn]>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[CH2:14][CH2:13][CH2:12][CH2:11][C@@H:10]2[NH2:15])=[CH:5][C:4]=1[O:18][CH3:19] | 1 |
N1(CCNCC1)C(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O>>C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)N1CCN(CC1)C(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O | 5 |
C1OC=2C=C(C=CC2O1)CCC(=O)O.NC1=CC=C(C(=O)OC)C=C1>C1CCCO1.C(C)OCC.CN1CCOCC1.C(C(C)C)OC(=O)Cl>O1COC2=C1C=CC(=C2)CCC(=O)NC2=CC=C(C(=O)OC)C=C2 | 3 |
[CH:1]([CH:4]1[CH2:12][C:11]2[C:6](=[C:7](Cl)[CH:8]=[CH:9][CH:10]=2)[C:5]1=[O:14])([CH3:3])[CH3:2].[C:15]([C:19]1[CH:24]=[CH:23][C:22](B(O)O)=[CH:21][CH:20]=1)([CH3:18])([CH3:17])[CH3:16].C(=O)([O-])[O-].[Na+].[Na+].C(O)CO>O>[CH:1]([CH:4]1[CH2:12][C:11]2[C:6](=[C:7]([C:22]3[CH:23]=[CH:24][C:19]([C:15]([CH3:18])([CH3:17... | 1 |
[C@H](C)(CC)NC1=NN2C(CN1)=C(C=C2C2CCC(CC2)O)C2CCN(CC2)C(=O)OC(C)(C)C>C1CCCO1.[O-2].[O-2].[Mn+4]>[C@H](C)(CC)NC1=NN2C(C=N1)=C(C=C2C2CCC(CC2)O)C2CCN(CC2)C(=O)OC(C)(C)C | 3 |
OC1CNCCC1.ClC=1C=CC2=C(C(OC(=N2)C2=CC=CC3=CC=CC=C23)=O)C1>C(C)(C)N(C(C)C)CC>ClC1=CC(=C(C=C1)NC(=O)C1=CC=CC2=CC=CC=C12)C(=O)N1CC(CCC1)O | 3 |
Br[C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][C:8]([C:12]([NH:14][C:15]3[CH:16]=[N:17][CH:18]=[CH:19][C:20]=3[N:21]3[CH2:26][C@H:25]([CH:27]4[CH2:29][CH2:28]4)[C@@H:24]([O:30][Si](C(C)(C)C)(C)C)[C@H:23]([NH:38]C(=O)OC(C)(C)C)[CH2:22]3)=[O:13])=[N:9]2)=[N:4][CH:3]=1.[O:46]1[C:50]2([CH2:55][CH2:54][NH:53][CH2:52][CH2:51]2)[... | 2 |
C(ON([C@H]1CN(C(OC(C)(C)C)=O)[C@H](CO)C(C)=C1)S(C1C=CC=CC=1[N+]([O-])=O)(=O)=O)C=C.[CH2:34]([O:37][N:38]([C@H:51]1[CH2:56][N:55]([C:57]([O:59][C:60]([CH3:63])([CH3:62])[CH3:61])=[O:58])[C@H:54]([CH2:64][O:65][Si](C(C)(C)C)(C)C)[C:53]([CH:73]([CH3:75])[CH3:74])=[CH:52]1)[S:39]([C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][C:43]... | 1 |
C1(CCC1)=O.FC=1C=C2C(=CNC2=CC1)CCCN[C@H]1COC2=CC=CC(=C2C1)OC>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>C1(CCC1)N([C@H]1COC2=CC=CC(=C2C1)OC)CCCC1=CNC2=CC=C(C=C12)F | 3 |
COC(C1=C(N=CC(=C1)Cl)Cl)=O>>NC1=C(C(=O)OC)C=C(C=N1)Cl | 5 |
[OH:1][CH2:2][CH2:3][N:4]([CH3:11])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[C:12](OC(=O)C)(=[O:14])[CH3:13]>N1C=CC=CC=1>[C:12]([O:1][CH2:2][CH2:3][N:4]([CH3:11])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)(=[O:14])[CH3:13] | 1 |
[O-2].[Sm+3:2].[O-2].[O-2].[Sm+3].[N+:6]([O-:9])([OH:8])=[O:7]>>[N+:6]([O-:9])([O-:8])=[O:7].[Sm+3:2].[N+:6]([O-:9])([O-:8])=[O:7].[N+:6]([O-:9])([O-:8])=[O:7] | 1 |
[C:1]([C:5]1[C:6]([NH2:14])=[N:7][N:8]2[CH:13]=[CH:12][CH:11]=[N:10][C:9]=12)([CH3:4])([CH3:3])[CH3:2].[CH:15]1([CH2:21][C:22](Cl)=[O:23])[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]1>>[C:1]([C:5]1[C:6]([NH:14][C:22](=[O:23])[CH2:21][CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)=[N:7][N:8]2[CH:13]=[CH:12][CH:11]=[N:10]... | 1 |
C1(=CC=CC=C1)[C@@H]1[C@H](CN(CC1)C(=O)OC(C)(C)C)C(=O)OC>>C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](CC1)C1=CC=CC=C1)C(=O)O | 5 |
[NH2:1][C:2]1[CH:6]=[C:5]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][CH:8]=2)[S:4][C:3]=1[C:13]([NH2:15])=[O:14].[O:16]1[CH2:20][CH2:19][C:18](=O)[CH2:17]1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.C(=O)([O-])O.[Na+]>C(O)(=O)C>[N:10]1[CH:9]=[CH:8][C:7]([C:5]2[S:4][C:3]3[C:13](=[O:14])[NH:15][C:18]4([CH2:19][CH2:20][O:16][CH2:17]4)[NH:1][C:... | 1 |
NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C2=C(C=CC=C2)F)N1C1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1>Cl.O1CCOCC1>FC1=C(C=CC=C1)C1=CC=C2C(=N1)N(C(=N2)C=2C(=NC=CC2)N)C2=CC=C(C=C2)CN2CCNCC2 | 3 |
COC[C@H]1N(CCC1)S(=O)(=O)C=1C=C2C3(C(NC2=CC1)=O)OCCCO3>CCO[H].[OH-].C(C1=CC=CC=C1)[N+](C)(C)C>O=C1NC2=CC=C(C=C2C1=O)S(=O)(=O)Cl | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH:9]([C:13]2[CH:18]=[CH:17][C:16]([S:19]([CH3:22])(=[O:21])=[O:20])=[CH:15][CH:14]=2)[C:10](O)=[O:11])=[CH:4][CH:3]=1.[CH3:23][C:24]1[N:25]=[CH:26][C:27]([NH2:30])=[N:28][CH:29]=1.CCN=C=NCCCN(C)C.Cl>C(Cl)Cl.CN(C1C=CN=CC=1)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH:9]([C:13]2[CH:14... | 2 |
Cl.[OH:2][C:3]1[C:4](=[O:15])[CH:5]=[C:6]([CH3:14])[N:7]([CH2:9][C:10]([F:13])([F:12])[F:11])[CH:8]=1.[OH-:16].[Na+].[CH2:18]=O>>[OH:2][C:3]1[C:4](=[O:15])[CH:5]=[C:6]([CH3:14])[N:7]([CH2:9][C:10]([F:11])([F:12])[F:13])[C:8]=1[CH2:18][OH:16] | 1 |
[CH3:1][N:2]([CH2:4][C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1)[CH3:3].CS(O[CH:17]1[CH2:20][N:19]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:18]1)(=O)=O>>[CH3:3][N:2]([CH2:4][C:5]1[CH:6]=[CH:7][C:8]([O:11][CH:17]2[CH2:18][N:19]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:20]2)=... | 1 |
[O:1]=[C:2]1[N:11]([NH:12][S:13]([CH3:16])(=[O:15])=[O:14])[C:10](=[O:17])[C:9]2[C:4](=[CH:5][C:6]([C:23]([F:26])([F:25])[F:24])=[C:7]([C@H:18]3[CH2:22][CH2:21][CH2:20][O:19]3)[CH:8]=2)[NH:3]1.[C:27](Cl)(=[O:32])[CH2:28][CH2:29][CH2:30][CH3:31]>>[O:1]=[C:2]1[N:11]([N:12]([C:27](=[O:32])[CH2:28][CH2:29][CH2:30][CH3:31])... | 2 |
CC1(OC(=CC(O1)=O)C)C.NC1=C(C(=O)OC)C=CC=N1>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>O=C(CC(=O)NC1=C(C(=O)OC)C=CC=N1)C | 3 |
C(C)(C)(CC(C)(C)C)C=1C=C(C=C(C1O)C(C)(C)CC(C)(C)C)C1C2CCC(C(CC1)C1=CC(=C(C(=C1)C(C)(C)CC(C)(C)C)O)C(C)(C)CC(C)(C)C)S2.C(C)(C)(CC)C1=C(C(=CC=C1)C(C)(C)CC)O.C(C)(C)(CC)C=1C=C(C=C(C1O)C(C)(C)CC)C1C2CCC(C(CC1)S2)C2=CC(=C(C(=C2)C(C)(C)CC)O)C(C)(C)CC>>C(C)(C)(CC)C=1C=C(C=C(C1O)C(C)(C)CC)C1C2CCC(C(CC1)C1=CC(=C(C(=C1)C(C)(C)CC... | 3 |
IC=1C2=C(N=CN1)NC=C2.[Na].ClC=1C=C(C=CC1Cl)S(=O)(=O)NC=1C(=NC=C(C1)C)C#N>>ClC=1C=C(C=CC1Cl)S(=O)(=O)NC=1C(=NC=C(C1)C)C(=O)C=1C2=C(N=CN1)NC=C2 | 5 |
[NH2:1][C:2]1[CH:28]=[C:27]([Cl:29])[CH:26]=[CH:25][C:3]=1[O:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:13][CH2:12][C:11]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][CH:17]=2)([OH:14])[C:10]([CH3:24])([CH3:23])[CH2:9]1.C(N(CC)CC)C.[Cl:37][CH2:38][C:39](Cl)=[O:40]>C(Cl)Cl>[Cl:37][CH2:38][C:39]([NH:1][C:2]1[CH:28]=[C:27... | 2 |
FC1(CCC(CC1)C(=O)O)F.Cl.COC(C[C@@H](C1=CC=CC=C1)N)=O>ClCCl.CCN(CC)CC.C(C)(C)N=C=NC(C)C>C1(=CC=CC=C1)[C@H](CCO)NC(=O)C1CCC(CC1)(F)F | 3 |
ClC1=CC=C(C=C1)C1=C(C(=NN1C1=C(C=C(C=C1)Cl)Cl)C=1N(C(C(N1)=O)(C)C)C)C>C1(=CC=CC=C1)C.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>ClC1=CC=C(C=C1)C1=C(C(=NN1C1=C(C=C(C=C1)Cl)Cl)C=1N(C(C(N1)=S)(C)C)C)C | 3 |
COC1=C(CN(S(=O)(=O)C2=NC=CC(=C2)NC(=O)C2=C(N=NC(=C2)C(F)(F)F)N2CCC(CCC2)(F)F)CC2=C(C=C(C=C2)OC)OC)C=CC(=C1)OC>ClCCl.C(=O)(C(F)(F)F)O>FC1(CCN(CCC1)C=1N=NC(=CC1C(=O)NC1=CC(=NC=C1)S(N)(=O)=O)C(F)(F)F)F | 3 |
C(C)OC(CN)OCC.ClC1=C(C=C(C=C1)C(F)(F)F)C(CC#N)=O>C1(=CC=CC=C1)C>ClC1=C(C=C(C=C1)C(F)(F)F)C(=CC#N)NCC(OCC)OCC | 3 |
[OH:1][CH2:2][CH:3]([NH:13][C:14](=[O:38])[C:15]1[CH:20]=[CH:19][C:18]([N:21]([CH2:25][C:26]2[CH:27]=[C:28]3[C:33](=[CH:34][CH:35]=2)[N:32]=[C:31]([CH3:36])[NH:30][C:29]3=[O:37])[CH2:22][C:23]#[CH:24])=[CH:17][CH:16]=1)[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([N+:10]([O-:12])=[O:11])[CH:5]=1.[C:39](OC(=O)C)(=[O:41])[CH3:40]>>[C... | 1 |
[CH2:1]([C@@H:5]([C:12]([N:14]1[CH2:18][CH2:17][CH2:16][C@H:15]1[C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])=[O:13])[C@H:6](O)[C:7]([O:9][CH3:10])=[O:8])[CH2:2][CH2:3][CH3:4].N1C=CC=CC=1.S(OS(C(F)(F)F)(=O)=O)(C(F)(F)[F:36])(=O)=O>C(Cl)Cl>[CH2:1]([C@@H:5]([C:12]([N:14]1[CH2:18][CH2:17][CH2:16][C@H:15]1[C:19]... | 1 |
COC1=CC=C(CN2N=CC(=C(C2=O)C(F)(F)F)O[C@H](COCCS(=O)(=O)N2CCN(CC2)C=2SC(=CN2)C(F)(F)F)C)C=C1>S(O)(O)(=O)=O.FC(S(=O)(=O)O)(F)F>FC(C=1C(NN=CC1O[C@H](COCCS(=O)(=O)N1CCN(CC1)C=1SC(=CN1)C(F)(F)F)C)=O)(F)F | 3 |
FC1=C(N=CC2=C1N=C(N=C2N2C[C@H](CCC2)NC(OC(C)(C)C)=O)OC[C@]21CCCN1C[C@@H](C2)F)C2=CC(=CC1=CC=C(C(=C21)C#C[Si](C(C)C)(C(C)C)C(C)C)F)OCOC>N(C)(C)C=O.[F-].[Cs+]>C(#C)C=1C(=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1C[C@H](CCC1)NC(OC(C)(C)C)=O)OC[C@]12CCCN2C[C@@H](C1)F)F)OCOC)F | 3 |
BrC=1C=NC=C(C1)Br.C(=O)(OC(C)(C)C)N1CCNCC1>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.CC(C)(C)[O-].[Na+]>C(C)(C)(C)OC(=O)N1CCN(CC1)C=1C=NC=C(C1... | 3 |
FC1=CC=C(C=C1)N1C(N(C=C(C1=O)C(=O)Cl)C(C)C)=O.FC=1C=C(N)C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OCCCN3CCOCC3>N(C)(C)C=O.O.ClCCl.CCN(CC)CC>FC=1C=C(C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OCCCN3CCOCC3)NC(=O)C=3C(N(C(N(C3)C(C)C)=O)C3=CC=C(C=C3)F)=O | 3 |
C(OC(C)(C)C)(OC(C)(C)C)=O.Cl.ClC1=CC=C(C=C1)C=1CCNCC1>>C(C)(C)(C)OC(=O)N1CCC(=CC1)C1=CC=C(C=C1)Cl | 5 |
P([O-])([O-])(O)=O.[K+].[K+].[Cl:8][C:9]1[CH:10]=[CH:11][CH:12]=[C:13]2[C:18]=1[N:17]=[CH:16][C:15]([SH:19])=[CH:14]2.II>ClCCl>[Cl:8][C:9]1[CH:10]=[CH:11][CH:12]=[C:13]2[C:18]=1[N:17]=[CH:16][C:15]([S:19][S:19][C:15]1[CH:16]=[N:17][C:18]3[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][C:9]=3[Cl:8])=[CH:14]2 | 2 |
C(C)C=1C=CC(=C(C1)S(=O)(=O)NC1=NOC2=NC(=CC(=C21)OC)C=2C=C(C=CC2)N2CCN(CC2)C(=O)OC(C)(C)C)OC>O.ClCCl.Cl.O1CCOCC1>Cl.C(C)C=1C=CC(=C(C1)S(=O)(=O)NC1=NOC2=NC(=CC(=C21)OC)C2=CC(=CC=C2)N2CCNCC2)OC | 3 |
C(C1=CC=CC=C1)N1CCC(CC1)C(=O)OCC.CI>>C(C1=CC=CC=C1)N1CCC(CC1)(C(=O)OCC)C | 5 |
FC1=CC(=C(C=C1)N)N>C(C)(=O)O>FC1=CC2=C(NC(=N2)C)C=C1 | 3 |
COC1=C(C(=C(C(=C1C)C)OC)C)CC[C@](C=O)(C)O>O.[Na+].[BH4-].CCO[H]>COC1=C(C(=C(C(=C1C)C)OC)C)CC[C@@](CO)(O)C | 3 |
Cl[C:2]1[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([C:9]#[N:10])[CH:3]=1.[OH:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][S:19]([NH2:22])(=[O:21])=[O:20])=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.[Cl-].[Na+].O>[C:9]([C:4]1[N:5]=[C:6]([CH3:8])[N:7]=[C:2]([O:11][C:12]2[CH:17]=[CH:16][C:15]([CH2:18][S:19]([NH2:22])(=[O:20])=[... | 1 |
ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1CSC1=CC=C(C=C1)C=1C=C2C=CC(=NC2=CC1)C(=O)OCC)C(C)C>C1CCCO1.CCO[H].[OH-].[Na+]>ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1CSC1=CC=C(C=C1)C=1C=C2C=CC(=NC2=CC1)C(=O)O)C(C)C | 3 |
N[C@@H](CO)CC.FC1=CC=C(C=C1)C1=NOC(=C1COC1=NC=C(C(=O)O)C=C1)CO>C1CCCO1.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>FC1=CC=C(C=C1)C1=NOC(=C1COC1=NC=C(C(=O)N[C@H](CC)CO)C=C1)CO | 3 |
C(C1=CC=CC=C1)O.O=C1C[C@H]([C@@H](N1)C1=CC(=CC(=C1)F)F)C(=O)O>C1CCCO1.C1=CC=CC=C1.C(C)(C)N(C(C)C)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C1=CC=CC=C1)OC(N[C@H]1[C@@H](NC(C1)=O)C1=CC(=CC(=C1)F)F)=O | 3 |
CN(C(CC(CC(=O)N(C)C)(COCCCCCCCC)COCCCCCCCC)=O)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CN(CCC(CCN(C)C)(COCCCCCCCC)COCCCCCCCC)C | 3 |
[CH3:1][C:2]1[C@@H:19]([O:20][C:21]([C@H:23]([OH:39])[C@@H:24]([NH:31][C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])[C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)=[O:22])[CH2:18][C@:14]2([OH:40])[C:15]([CH3:17])([CH3:16])[C:3]=1[C@@H:4]([OH:58])[C:5]([C@@:7]1([CH3:57])[C@H:12]([C@@H:13]2[O:41][C:42]([C:44]2[... | 2 |
C(CC)C1=CC=C(C(=O)O)C=C1>>C(CC)C1=CC=C(CO)C=C1 | 5 |
C1(=CC=CC=C1)S(=O)(=O)Cl.C(C)OC(C(=CC(=O)C1=CNC2=CC=C(C=C12)Cl)O)=O>>C(C)OC(C(=CC(=O)C1=CN(C2=CC=C(C=C12)Cl)S(=O)(=O)C1=CC=CC=C1)O)=O | 5 |
FC(C=1C=C(C(=O)NN)C=CC1)(F)F.C(CC)(=O)C=1C=NC=CC1>O.CCO[H].C(C)(=O)O>N1=CC(=CC=C1)C(CC)=NNC(C1=CC(=CC=C1)C(F)(F)F)=O | 3 |
C(C1=CC=CC=C1)OC(=O)N[C@H]([C@@H](CN1C2C(CC1C(=O)NC(C)(C)C)CCC2)O)CC2=CC=CC=C2>CCO[H].[HH].[Pd]C>N[C@H]([C@@H](CN1C2C(CC1C(=O)NC(C)(C)C)CCC2)O)CC2=CC=CC=C2 | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:11]2[CH:19]3[C:14]([C:20]4[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=4)([CH2:15][CH2:16][CH2:17][CH2:18]3)[N:13](O)[CH2:12]2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[ClH:27]>[Zn].CO>[ClH:27].[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:11]2[CH:19]3[C:14]([C:20]4[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=4)([CH... | 1 |
C(C)(C)(C)O.ClCC(COC1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OCC1OC1)O>[O-]S(=O)(=O)C(F)(F)F.[Bi+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F>C(C)(C)(C)OCC(COC1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OCC(CCl)O)O | 3 |
BrCC(=O)C1=CC(=C(C=C1)Cl)C.FC(C=1C(=NNC1C(=O)OCC)C(=O)OCC)(F)F>C([O-])([O-])=O.[K+].[K+].CC(=O)C>ClC1=C(C=C(C=C1)C(CN1N=C(C(=C1C(=O)OCC)C(F)(F)F)C(=O)OCC)=O)C | 3 |
Br[C:2]1[CH:3]=[C:4]([NH:10][C:11]2[CH:16]=[N:15][C:14]([N:17]3[CH2:22][CH2:21][N:20]([CH:23]4[CH2:26][O:25][CH2:24]4)[CH2:19][C@@H:18]3[CH3:27])=[CH:13][N:12]=2)[C:5](=[O:9])[N:6]([CH3:8])[CH:7]=1.[C:28]([O:31][CH2:32][C:33]1[C:34]([N:48]2[CH2:59][CH2:58][N:57]3[C:50](=[CH:51][C:52]4[CH2:53][C:54]([CH3:61])([CH3:60])[... | 1 |
C1N2CN3CN1CN(C2)C3.ClC=1C=C(C=CC1Cl)O>O.O=S(=O)(O)C>OC1=C(C=O)C=C(C(=C1)Cl)Cl | 3 |
ClC=1C2=C(N=CN1)N(C=C2C2C(C2)C(=O)OC)COCC[Si](C)(C)C>O.C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC=1C2=C(N=CN1)N(C=C2C2C(C2)CO)COCC[Si](C)(C)C | 3 |
CSC1=C(C=CC=2C(OCC21)=O)CCN2CCN(CC2)C(=O)OC(C)(C)C>Cl.O1CCOCC1>[Cl-].CSC1=C(C=CC=2C(OCC21)=O)CCN2CC[NH2+]CC2 | 3 |
C=1(C(=CC=CC1)CCO)C.ClC1=NC(=CC=C1CNC(C(C)C1=CC(=C(C=C1)CNS(=O)(=O)C)F)=O)C(F)(F)F.CC(/C=C/B(CO)CO)(C)C>>CC(/C=C/C1=NC(=CC=C1CNC(C(C)C1=CC(=C(C=C1)CNS(=O)(=O)C)F)=O)C(F)(F)F)(C)C | 5 |
[OH:1][C:2]1[C:10]2[N:9]=[C:8]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[NH:7][C:6]=2[C:5]([C:17]([OH:19])=O)=[CH:4][CH:3]=1.[NH2:20][CH2:21][CH:22]1[CH2:27][CH2:26][CH2:25][CH2:24][N:23]1C(OC(C)(C)C)=O>>[OH:1][C:2]1[C:10]2[N:9]=[C:8]([C:11]3[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=3)[NH:7][C:6]=2[C:5]([C:17]([NH:20... | 2 |
[CH3:1][C@H:2]1[C@@:7]23[C:13]([O:14][C@H:5]([CH2:6]2)[CH2:4][C@@H:3]1[C:17]1[CH:18]=[CH:19][C:20]2[O:25][CH2:24][O:23][C:21]=2[CH:22]=1)=[CH:12][C:10](=[O:11])[C:9]([O:15]C)=[CH:8]3.S(=O)(=O)(O)O>O>[O:25]1[C:20]2[CH:19]=[CH:18][C:17]([CH:3]3[CH:2]([CH3:1])[C:7]45[CH2:6][CH:5]([O:14][C:13]4=[CH:12][C:10](=[O:11])[C:9](... | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][CH2:10][SH:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:12]([N:14]1[CH2:19][CH2:18][CH:17]([CH2:20]Br)[CH2:16][CH2:15]1)=[O:13]>CO.[OH-].[K+]>[CH:12]([N:14]1[CH2:19][CH2:18][CH:17]([CH2:20][S:11][CH2:10][CH2:9][NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:16][CH2:15]1)=[O:13] | 1 |
BrC=1C=C(C(=[N+](C1)[O-])C(=O)OCC)Cl>>BrC1=CC(=C(NC1=O)C(=O)OCC)Cl | 5 |
[F:1][C:2]([F:23])([F:22])[C:3]1[CH:8]=[CH:7][C:6]([NH:9][NH:10][C:11](=[O:21])[C:12]2[CH:17]=[CH:16][C:15]([N+:18]([O-:20])=[O:19])=[CH:14][CH:13]=2)=[CH:5][CH:4]=1.[C:24](Cl)(Cl)=[O:25].[H][H]>CCO.[Pd]>[N+:18]([C:15]1[CH:14]=[CH:13][C:12]([C:11]2[O:21][C:24](=[O:25])[N:9]([C:6]3[CH:5]=[CH:4][C:3]([C:2]([F:22])([F:23]... | 1 |
[N:1]1([C:6]2[O:10][C:9]3[C:11]([OH:17])=[C:12]([O:15][CH3:16])[CH:13]=[CH:14][C:8]=3[C:7]=2[C:18](=[O:31])[C:19]2[CH:24]=[C:23]([O:25][CH3:26])[C:22]([O:27][CH3:28])=[C:21]([O:29][CH3:30])[CH:20]=2)[CH:5]=[CH:4][N:3]=C1.[NH:32]1C=CN=N1.N1C=CN=C1>>[N:1]1([C:6]2[O:10][C:9]3[C:11]([OH:17])=[C:12]([O:15][CH3:16])[CH:13]=[... | 1 |
NC1CCC(CC1)O.C(C1=CC=CC=C1)N(C)CC=1C(=C(SC1C1=CC=C(C=C1)NC(=O)NOC)N(C(=O)OCC)CC1=C(C=CC=C1F)F)C(=O)O>>C(C1=CC=CC=C1)N(C)CC1=C(SC=2N(C(N(C(C21)=O)C2CCC(CC2)O)=O)CC2=C(C=CC=C2F)F)C2=CC=C(C=C2)NC(=O)NOC | 3 |
S1C=CC=C1>>BrC1=CC2=C(S1)CCCC2=O | 5 |
[CH:1]1([C:5]2[C:10]([OH:11])=[C:9]([F:12])[C:8]([C:13]3[CH:22]=[N:21][C:20]4[NH:19][CH2:18][CH2:17][O:16][C:15]=4[CH:14]=3)=[CH:7][CH:6]=2)[CH2:4][CH2:3][CH2:2]1.Br[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>>[CH2:24]([O:11][C:10]1[C:9]([F:12])=[C:8]([C:13]2[CH:22]=[N:21][C:20]3[NH:19][CH2:18][CH2:17][O:16]... | 2 |
BrC1(C(NC=2N=CC=C(C21)C#N)=O)Br>>O=C1CC2=C(N=CC=C2C#N)N1 | 5 |
ClC(=O)OC.NC(C(=O)OC)CC1=CC(=CC=C1)Br>O.ClCCl.C(O)([O-])=O.[Na+]>BrC=1C=C(C=CC1)CC(C(=O)OC)NC(=O)OC | 3 |
[CH3:1][CH2:2][C:3]([NH:5][S:6]([C:9]1[CH:10]=[CH:11][C:12]([C:15]2[C:19]([C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)=[N:18][O:17][C:16]=2[CH3:26])=[CH:13][CH:14]=1)(=[O:8])=[O:7])=[O:4].[OH-].[Na+:28]>C(O)C>[CH3:1][CH2:2][C:3]([N-:5][S:6]([C:9]1[CH:14]=[CH:13][C:12]([C:15]2[C:19]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:... | 2 |
ClC=1C=2N(C=C(N1)C=1C=NN(C1)CC1=CC=C(C=C1)OC)N=CC2>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+].C1(=CC=CC=C1)OC.FC(S(=O)(=O)O)(F)F>ClC=1C=2N(C=C(N1)C=1C=NNC1)N=CC2 | 3 |
CN(C)C1CCNC1.ClC=1N=CC(=NC1)C(=O)NC=1NN=C(C1)CCC1=CC(=CC(=C1)OC)OC>CS(=O)C>COC=1C=C(C=C(C1)OC)CCC=1C=C(NN1)NC(=O)C1=NC=C(N=C1)N1CC(CC1)N(C)C | 3 |
[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10][C:11]1[CH:19]=[CH:18][C:14]([C:15]([OH:17])=[O:16])=[CH:13][C:12]=1[N+:20]([O-])=O)([OH:3])=[O:2]>CO.[Pt](=O)=O.[Pd]>[NH2:20][C:12]1[CH:13]=[C:14]([CH:18]=[CH:19][C:11]=1[S:10][C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=1[C:1]([OH:3])=[O:2])[C:15]([OH:17])=[O:16] | 2 |
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