smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClCCOC1=CC(=C(C(=O)OC)C=C1OC)[N+](=O)[O-].[Pt]=S.[C]>>COC1=C(C=C(C(C(=O)OC)=C1)N)OCCCl | 5 |
C[O:2][C:3]1[CH:4]=[C:5]([C:9]2[CH2:10][N:11]([CH2:15][CH2:16][CH3:17])[CH2:12][CH2:13][CH:14]=2)[CH:6]=[CH:7][CH:8]=1.Br.[NH+]1C=CC=CC=1.[OH-].[NH4+]>O>[CH2:15]([N:11]1[CH2:12][CH2:13][CH:14]=[C:9]([C:5]2[CH:4]=[C:3]([OH:2])[CH:8]=[CH:7][CH:6]=2)[CH2:10]1)[CH2:16][CH3:17] | 1 |
C[O:2][C:3]1[CH2:7][CH:6]([CH2:8][C:9]2[CH:13]=[C:12]([CH3:14])[O:11][N:10]=2)[C:5](=[O:15])[C:4]=1[C:16]1[C:21]([CH3:22])=[CH:20][C:19]([CH3:23])=[CH:18][C:17]=1[CH3:24].Cl>CC(C)=O>[CH3:14][C:12]1[O:11][N:10]=[C:9]([CH2:8][CH:6]2[CH2:7][C:3](=[O:2])[CH:4]([C:16]3[C:21]([CH3:22])=[CH:20][C:19]([CH3:23])=[CH:18][C:17]=3... | 1 |
[CH3:1][O:2][C:3]1([C:23](=[O:30])[NH:24][C:25]2([CH3:29])[CH2:28][CH2:27][CH2:26]2)[CH2:8][CH2:7][N:6]([CH:9]2[CH2:15][CH2:14][CH2:13][N:12](C(OC(C)(C)C)=O)[CH2:11][CH2:10]2)[CH2:5][CH2:4]1.[C:31]([OH:37])([C:33]([F:36])([F:35])[F:34])=[O:32]>C(Cl)Cl>[OH:37][C:31]([C:33]([F:36])([F:35])[F:34])=[O:32].[NH:12]1[CH2:13][... | 1 |
C(=O)(OC(C)(C)C)N[C@@H](CCCC)C(=O)O>ClCCl.O.ON1N=NC2=C1C=CC=C2.CCN=C=NCCCN(C)C>C(=O)(OC(C)(C)C)NC([C@@H](N)CCCC)=O | 3 |
O1C(C1)C(=O)OCC.COC=1C=NNC1>CCO[H]>OC(C(=O)OCC)CN1N=CC(=C1)OC | 3 |
ClC1=CC=C(C2=CC=C(C(=C2)CC)NC(C)=O)C=C1>Cl.O1CCOCC1>ClC1=CC=C(C2=CC=C(C(=C2)CC)N)C=C1 | 3 |
CN1C(=NC2=C1C(=CC=C2)C)CC2CCN(CC2)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>CN1C(=NC2=C1C(=CC=C2)C)CC2CCNCC2 | 3 |
CI.C(C)OC(C1=CC=NC=C1)OCC>ClCCl>[I-].C(C)OC(C1=CC=[N+](C=C1)C)OCC | 3 |
C(#N)C=1C=CC(=NC1)N1CCN(CC1)CCC(=O)OCC>O.CO[H].Cl.[OH-].[Li+]>C(#N)C=1C=CC(=NC1)N1CCN(CC1)CCC(=O)O | 3 |
C(OCC1CCN(CC1)CCOC)(OC1=CC=C(C=C1)[N+](=O)[O-])=O.Cl.Cl.CC1=CC=C(C=C1)N1CCNCC1>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.CN1CCOCC1.ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>CC1=CC=C(C=C1)N1CCN(CC1)C(=O)OCC1CCN(CC1)CCOC | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([NH:9][C:10]2[C:11]3[S:18][C:17]([C:19]4[CH:24]=[CH:23][C:22](Br)=[CH:21][CH:20]=4)=[CH:16][C:12]=3[N:13]=[CH:14][N:15]=2)[CH:6]=[CH:7][CH:8]=1.[OH:26][CH2:27][CH2:28][N:29]1[CH2:34][CH2:33][O:32][CH2:31][CH2:30]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C>CN(C)C=O... | 1 |
ClC=1C=C(C=CC1)NC(OC1=CC=CC=C1)=O.CC1CC2=C(CN1)C(=NN2)C2=CSC=C2>O.ClCCl.CCN(CC)CC>ClC=1C=C(C=CC1)NC(=O)N1CC2=C(CC1C)NN=C2C2=CSC=C2 | 3 |
C(OC(NCCCCCO[C:15]1[C:16]([CH2:26][CH:27]=[CH2:28])=[C:17]2[C:22](=[CH:23][CH:24]=1)[C:21](=[O:25])[CH2:20][CH2:19][CH2:18]2)=O)(C)(C)C.[C:29]([O:33][C:34]([NH:36][CH2:37][C:38]([CH3:45])([CH3:44])[CH2:39][CH2:40][CH2:41][CH2:42][OH:43])=[O:35])([CH3:32])([CH3:31])[CH3:30]>>[C:29]([O:33][C:34]([NH:36][CH2:37][C:38]([CH... | 2 |
ClC1=C(C(=O)O)C=CC(=C1)NC(=O)C=1N(C(=CN1)C=1C(=NN(C1)C1=NC=C(C=C1)[N+](=O)[O-])C(F)(F)F)C.O=C1CN(CCN1CC1CCNCC1)CC(=O)OCC1=CC=CC=C1>CC#N.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C(=O)N2CCC(CC2)CN2C(CN(CC2)C(=O)OCC2=CC=CC=C2)=O)C=CC(=C1)NC(=O)C=1N(C(=CN1)C=1C(=NN(C1)C1=NC=C(C=C1)[... | 3 |
[Cl:1][C:2]1[CH:3]=[N+:4]([O-:49])[CH:5]=[C:6]([Cl:48])[C:7]=1[CH2:8][C@@H:9]([C:33]1[CH:38]=[CH:37][C:36]([O:39][CH:40]([F:42])[F:41])=[C:35]([O:43][CH2:44][CH:45]2[CH2:47][CH2:46]2)[CH:34]=1)[O:10][C:11](=[O:32])[C:12]1[CH:17]=[CH:16][C:15]([OH:18])=[C:14]([N:19]([CH2:24][CH2:25][N:26]2[CH2:31][CH2:30][O:29][CH2:28][... | 2 |
S1C=C(C=C1)CC#N>BrN1C(CCC1=O)=O.Cl(=O)(=O)(=O)O>BrC=1SC=CC1CC#N | 3 |
C(C#C)O.ClC=1C(=NC=CN1)NS(=O)(=O)C1=C(C=CC=C1)C(F)(F)F>[Cu]I.N(C)(C)C=O.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-].[Cl-].[Pd+2].C(C)(=O)[O-].[K+]>OCC#CC=1C(=NC=CN1)NS(=O)(=O)C1=C(C=CC=C1)C(F)(F)F | 3 |
Cl[C:2]1[C:3]([F:22])=[CH:4][N:5]2[C:10]([C:11]=1[CH3:12])=[C:9]([CH:13]1[CH2:15][CH2:14]1)[CH:8]=[C:7]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:6]2=[O:21].[C:23]([C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1)#[N:24]>>[C:23]([C:25]1[CH:30]=[CH:29][C:28]([C:2]2[C:3]([F:22])=[CH:4][N:5]3[C:10]([C:11]=2[CH3:12])=[C... | 1 |
CI.BrC=1C=C(C(=NC1)C(=O)O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C=C(C(=NC1)C(=O)OC)C | 3 |
COC1=CC2=C(N=C(S2)C2=CC=C(C=C2)[N+](=O)[O-])C=C1>CCO[H].O.O.[Sn](Cl)Cl>COC1=CC2=C(N=C(S2)C2=CC=C(C=C2)N)C=C1 | 3 |
FC1=C(C(=O)O)C=CC(=C1)C(F)(F)F.N1CCC(=CC1)C1=C(C(=O)NC(=N)NC(=O)OCC2=CC=CC=C2)C=CC=C1C(F)(F)F>>FC1=C(C(=O)N2CCC(CC2)C2=C(C=C(C(=O)NC(=N)N)C=C2)C(F)(F)F)C=CC(=C1)C(F)(F)F | 5 |
CN(C(=O)Cl)C.C(#N)CC=1C=[N+](C=CC1)[O-]>ClCCl.C[Si](C)(C)C#N>C(#N)CC=1C(=NC=CC1)C#N | 3 |
BrCCCBr.BrC=1C=C(C=NC1)C1=CC(NN1)=O>CC#N.C([O-])([O-])=O.[K+].[K+]>BrC=1C=C(C=NC1)C1=NN2C(OCCC2)=C1 | 3 |
CC1(OC2=C(C1)C=C(C(=C2)[C@H]2CO[C@@H](OC2)CN(C(OCC[Si](C)(C)C)=O)C)[N+](=O)[O-])C>CO[H].[HH].[Pd]>NC=1C(=CC2=C(CC(O2)(C)C)C1)[C@H]1CO[C@@H](OC1)CN(C(OCC[Si](C)(C)C)=O)C | 3 |
BrC=1C(=CC(=C(C(=O)OC)C1)F)C>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC=1C(=CC(=C(C(=O)OC)C1)F)C(Br)Br | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C@H:8]([O:10][C:11]1[CH:15]=[C:14]([N:16]2[C:20]3[CH:21]=[CH:22][C:23]([C:25]4[CH:30]=[CH:29][N:28]=[C:27](F)[CH:26]=4)=[CH:24][C:19]=3[N:18]=[CH:17]2)[S:13][C:12]=1[C:32]([NH2:34])=[O:33])[CH3:9].[NH2:35][CH2:36][C@@H:37]([OH:40])[CH2:38][OH:39]>>[Cl:1][C:2]1[CH:7]=[CH:6][... | 2 |
[C:1]([NH:20][C:21]1[S:22][CH:23]=[C:24]([C:26](=[N:32][O:33][CH:34]([CH3:36])[CH3:35])[C:27]([O:29]CC)=[O:28])[N:25]=1)([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+:38].[Na]>O1CCOCC1>[C:1]([NH:20][C:21]1[S:22][CH:23]=[C... | 1 |
[O:1]=[C:2]1[NH:6][C:5]([CH2:18][S:19](Cl)(=[O:21])=[O:20])([CH2:7][N:8]2[C:12](=[O:13])[C:11]([CH3:15])([CH3:14])[N:10]([CH3:16])[C:9]2=[O:17])[C:4](=[O:23])[NH:3]1.[Cl:24][C:25]1[CH:26]=[CH:27][C:28]([O:31][CH:32]2[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]2)=[N:29][CH:30]=1>>[Cl:24][C:25]1[CH:26]=[CH:27][C:28]([O:31][CH... | 1 |
C[O:2][C:3]1[N:8]=[N:7][C:6]([C:9]2[CH:14]=[C:13]([CH3:15])[C:12]([OH:16])=[C:11]([CH3:17])[CH:10]=2)=[CH:5][C:4]=1[C:18]1[NH:19][C:20]2[C:25]([C:26]=1[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)=[CH:24][CH:23]=[C:22]([CH2:33][N:34]1[CH2:39][CH2:38][N:37]([CH3:40])[CH2:36][CH2:35]1)[CH:21]=2.C[Si](Cl)(C)C.[I-].[K+]>... | 1 |
C(C)OC(=O)C=1NC(=C(C1O)O)C(=O)OCC>S(O)(O)(=O)=O.[HH].[C].[Rh]>C(C)OC(=O)C1NC(CC1O)C(=O)OCC | 3 |
[C:1]([C:5]1[CH:10]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:8]=[CH:7][C:6]=1[OH:15])([CH3:4])([CH3:3])[CH3:2].Cl[P:17](Cl)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.Cl>C(N(CC)CC)C.C1C=CC=CC=1>[C:18]1([P:17]([O:15][C:6]2[CH:7]=[CH:8][C:9]([C:11]([CH3:13])([CH3:12])[CH3:14])=[CH:10][C:5]=2[C:1]([CH3:4])([CH3:3])... | 1 |
FC1([C@H](N(C[C@H]1N(CC1=CC=C(C=C1)OC)S(=O)(=O)C)C(=O)OC(C)(C)C)CO)F>CC#N.C(C)(C)N(C(C)C)CC.CS(=O)(=O)OS(=O)(=O)C>FC1([C@H](N(C[C@H]1N(CC1=CC=C(C=C1)OC)S(=O)(=O)C)C(=O)OC(C)(C)C)COS(=O)(=O)C)F | 3 |
[NH:1](C(OC(C)(C)C)=O)[CH2:2][C:3]([N:5]1[CH2:20][CH2:19][CH2:18][C@H:6]1[C:7]([NH:9][C@H:10]([C:15]([NH2:17])=[O:16])[CH2:11][CH2:12][CH2:13][CH3:14])=[O:8])=[O:4]>C(O)(C(F)(F)F)=O.C(Cl)Cl>[NH2:1][CH2:2][C:3]([N:5]1[CH2:20][CH2:19][CH2:18][C@H:6]1[C:7]([NH:9][C@H:10]([C:15]([NH2:17])=[O:16])[CH2:11][CH2:12][CH2:13][CH... | 1 |
FC(S(=O)(=O)C1=CC=C(C=C1)N)(F)F.COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)O)C1)OC(C)=O)C)=O>ClCCl.CCN(CC)CC.[Cl-].ClC1[NH+](CCN1C)C>COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C1)OC(C)=O)C)=O | 3 |
Cl.Cl[CH2:3][CH2:4][N:5]([CH3:7])[CH3:6].C(=O)([O-])[O-].[K+].[K+].[Br:14][C:15]1[N:20]=[C:19]2[NH:21][N:22]=[C:23]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:18]2=[C:17]([C:30]([F:33])([F:32])[F:31])[CH:16]=1.O>CN(C=O)C>[Br:14][C:15]1[N:20]=[C:19]2[N:21]([CH2:3][CH2:4][N:5]([CH3:7])[CH3:6])[N:22]=[C:23]([C:24]3... | 2 |
C[O:2][C:3]1[C:8]([C:9]2[CH:14]=[CH:13][C:12]([O:15][C:16]3[CH:21]=[CH:20][N:19]=[C:18]([C:22]4[CH:23]=[N:24][N:25]([CH3:27])[CH:26]=4)[CH:17]=3)=[C:11]([CH3:28])[N:10]=2)=[CH:7][N:6]=[C:5]([N:29]2[CH2:33][CH2:32][CH2:31][CH2:30]2)[N:4]=1.Br>C(O)(=O)C>[CH3:28][C:11]1[N:10]=[C:9]([C:8]2[C:3](=[O:2])[NH:4][C:5]([N:29]3[C... | 1 |
OC(C)(C)C=1N(C2=CC=CC=C2C1)C>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(=C)(C)C=1N(C2=CC=CC=C2C1)C | 3 |
[H-].[Na+].[C:3]([CH2:5]P(=O)(OCC)OCC)#[N:4].[CH3:14][C:15]1([CH3:24])[CH2:20][C:19]([CH3:22])([CH3:21])[CH2:18][C:17](=O)[CH2:16]1>C1COCC1>[CH3:14][C:15]1([CH3:24])[CH2:20][C:19]([CH3:22])([CH3:21])[CH2:18][C:17](=[CH:5][C:3]#[N:4])[CH2:16]1 | 1 |
[C:1]1([C:17]([OH:19])=[O:18])[C:14]2[C:15]3=[C:16]4[C:11](=[CH:12][CH:13]=2)[CH:10]=[CH:9][CH:8]=[C:7]4[CH:6]=[CH:5][C:4]3=[CH:3][CH:2]=1.[S:20](=O)(=[O:23])([OH:22])[OH:21].[OH-].[Na+]>>[S:20]([C:9]1[CH:8]=[C:7]2[C:16]3=[C:15]4[C:4](=[CH:3][CH:2]=[C:1]([C:17]([OH:19])=[O:18])[C:14]4=[CH:13][CH:12]=[C:11]3[CH:10]=1)[C... | 2 |
ClC1C=C([NH:8][C:9](=[O:36])[CH2:10][N:11]2[C:20]3[C:15](=[N:16][C:17]([O:21]C)=[CH:18][CH:19]=3)[C:14](=[O:23])[C:13]([C:24]([C:26]3[CH:35]=[CH:34][C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[CH:27]=3)=[O:25])=[CH:12]2)C=CC=1.[Li+].[Cl-:38].O.[C:40]1(C)[CH:45]=[CH:44][C:43](S(O)(=O)=O)=[CH:42][CH:41]=1>CN(C=O)C>[Cl... | 2 |
C(C)OC(OCC)OCC.C1(CC1)N.C(C)OC(C(C#N)N)=O>CC#N>NC1=C(N=CN1C1CC1)C(=O)OCC | 3 |
FC(C(=O)OC)CC1=CC(=C(C(=C1)Br)OC1=CC=C(C=C1)[N+](=O)[O-])Br>>FC(C(=O)OC)CC1=CC(=C(C(=C1)Br)OC1=CC=C(C=C1)N)Br | 5 |
BrC=1C=C(C(=NC1)C(=O)OC)C(Br)Br>>BrC1=CC2=C(C(NN=C2)=O)N=C1 | 5 |
C1(CCCC1)C=1CCC(CN1)C>O.CO[H].[Na+].[BH4-]>C1(CCCC1)C1NCC(CC1)C | 3 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[OH:11][CH2:12][C@@H:13]1[C@@H:17]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH2:16][N:15]([C@H:24]([CH2:35][CH:36]2[CH2:39][CH2:38][CH2:37]2)[C:25]([O:27][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[O:26])[CH2:14]1.CCN(C(C)C)C(C)C>C(Cl)Cl>[CH:12]([C@@H:13]1[C@@H:17]([C:18]2[C... | 1 |
BrC(C(=O)OCC)(F)F.ClC1=NC=C(C=N1)O>>ClC1=NC=C(C=N1)OC(F)F | 5 |
C1(CCCCC1)NC(C)C.C(C)N1C2=NC=NC(=C2N=C1)O[C@@H]1CN(CC1)C(=O)OC(C)(C)C>>IC=1N(C2=NC=NC(=C2N1)O[C@@H]1CN(CC1)C(=O)OC(C)(C)C)C | 5 |
[NH:1]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[C:5](=O)[CH2:4][CH2:3][C:2]1=[O:13].Cl.[Br:15][C:16]1[CH:21]=[CH:20][C:19]([NH:22]N)=[CH:18][CH:17]=1.C([O-])(=O)C.[Na+].S(=O)(=O)(O)O>C(O)(=O)C>[Br:15][C:16]1[CH:17]=[C:18]2[C:4]3[CH2:3][C:2](=[O:13])[NH:1][C:7]4[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=4[C:5]=3[NH:22][C:19]2=[... | 1 |
[N:1]1O[N:3]=[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.N([O-])=O.[Na+].Cl.[N-:15]=[N+:16]=[N-].[Na+]>>[NH2:1][C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=1[N:3]=[N+:15]=[N-:16] | 2 |
OC1=C(C=CC=C1)SC.C(C)OC(C=C(C)Cl)=O>CC(C)(C)[O-].[K+].C1CCCO1>C(C)OC(\C=C(/C)\OC1=C(C=CC=C1)SC)=O | 3 |
C1(=CC=CC=C1)C12CCC(CC1)(CC2)C(=O)OCC>>C1(=CC=CC=C1)C12CCC(CC1)(CC2)CO | 5 |
FC=1C=C(C=C(C1)F)[C@]12CN=C([C@@H]2C1)NNC(=S)SC>N(C)(C)C=O.C(C)OCC.C(C)(=O)OCC>CN1N=C2N(C1=S)C[C@@]1([C@H]2C1)C1=CC(=CC(=C1)F)F | 3 |
COC1=C(C=CC=C1)N1CCNCC1.C1(=CC=CC=C1)CN1CCC(CC1)=O>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C1=CC=CC=C1)N1CCC(CC1)N1CCN(CC1)C1=C(C=CC=C1)OC | 3 |
[CH:1]1([NH2:4])[CH2:3][CH2:2]1.C(N(CC)CC)C.Cl[C:13]([O:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:14]>ClCCl>[CH2:16]([O:15][C:13](=[O:14])[NH:4][CH:1]1[CH2:3][CH2:2]1)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 1 |
C(C)=O.FC1=C(C(=O)NC=2C(=NNC2)C=2NC3=C(CNCC3)N2)C(=CC=C1)F>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)N1CC2=C(CC1)NC(=N2)C2=NNC=C2NC(C2=C(C=CC=C2F)F)=O | 3 |
OC1CCN(CC1)CC(=O)OCC1=CC=CC=C1>CO[H].[HH].[Pd]>OC1CCN(CC1)CC(=O)O | 3 |
COC(=O)C1=CC=C(C=C1)B(O)O.N/C=1/C\C(=C/C2=C(\N1)C=C(C=C2)Br)\C(=O)N(CCC)CCC>CC#N.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N/C=1/C\C(=C/C2=C(\N1)C=C(C=C2)C2=CC=C(C=C2)CC(=O)OCC2=CC=CC=C2)\C(N(CCC)CCC)=... | 3 |
[N+:1]([CH2:4][C:5]12[CH2:12][CH2:11][CH2:10][N:9]1[CH2:8][CH2:7][CH2:6]2)([O-])=O.Cl>[Fe].C(O)C>[NH2:1][CH2:4][C:5]12[CH2:12][CH2:11][CH2:10][N:9]1[CH2:8][CH2:7][CH2:6]2 | 1 |
C(OC([N:8]1[CH2:18][CH:17]2[CH2:19][CH:10]([C:11]3[CH:12]=[N:13][C:14]([CH3:20])=[N:15][C:16]=32)[CH2:9]1)=O)(C)(C)C.Cl>CO>[CH3:20][C:14]1[N:13]=[CH:12][C:11]2[CH:10]3[CH2:19][CH:17]([CH2:18][NH:8][CH2:9]3)[C:16]=2[N:15]=1 | 1 |
C(C1=CC=CC=C1)OC[C@H]1CNC[C@H](O1)CC>>C(C)[C@H]1O[C@H](CNC1)CO | 5 |
ClC1=NC=C(C(=O)OC)C=C1.CN1N=NC(=C1CO)C1=CC=CC=C1>>COC(C1=CN=C(C=C1)OCC=1N(N=NC1C1=CC=CC=C1)C)=O | 5 |
FC1=CC=C(C2=C1C(C=1C=CN=CC1C2=O)=O)F>C(CN)N>NCCNC1=CC=C(C2=C1C(C=1C=CN=CC1C2=O)=O)NCCN | 3 |
ClC1=CNC2=CC=CC(=C12)CCCC1=C(OCC(CN(C(C(F)(F)F)=O)CCC)O)C=CC=C1>O.Cl.[OH-].[Na+]>OC(COC1=C(C=CC=C1)CCCC1=C2CC(NC2=CC=C1)=O)CNCCC | 3 |
[Na].[N+](C(C)C)([O-])=[O:3].Br[CH2:9][C:10]1[N:14]([C:15]([CH3:18])([CH3:17])[CH3:16])[N:13]=[CH:12][C:11]=1[C:19]([O:21][CH2:22][CH3:23])=[O:20]>C(O)C>[CH:9]([C:10]1[N:14]([C:15]([CH3:18])([CH3:17])[CH3:16])[N:13]=[CH:12][C:11]=1[C:19]([O:21][CH2:22][CH3:23])=[O:20])=[O:3] | 1 |
[Cl:1][C:2]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:3]=1[CH2:4][S:5]([C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[NH:13][C:12](=[O:17])[CH2:11]2)(=[O:7])=[O:6].[CH:23]([C:25]1[NH:29][C:28]([CH3:30])=[C:27]([C:31]([OH:33])=[O:32])[C:26]=1[CH3:34])=O>>[Cl:1][C:2]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:3]=1[CH2:4][S:5... | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1.[Cl:16][C:17]1[CH:38]=[C:37]([F:39])[C:20]([CH2:21][N:22]2[C:27](=[O:28])[C:26]([C:29]3[CH:34]=[CH:33][C:32]([OH:35])=[C:31]([F:36])[CH:30]=3)=[CH:25][N:24]=[CH:23]2)=[C:19]([F:40])[CH:18]=1>>[Cl:16][C:17]1[CH:18]=[C:1... | 2 |
[OH-].[Na+].[F:3][C:4]1[C:9]([O:10][CH3:11])=[CH:8][CH:7]=[CH:6][C:5]=1[C:12]1[CH:16]=[C:15]([CH2:17][CH2:18][C@@:19]([CH3:29])([S:25]([CH3:28])(=[O:27])=[O:26])[C:20]([O:22]CC)=[O:21])[O:14][N:13]=1.O>O1CCOCC1>[F:3][C:4]1[C:9]([O:10][CH3:11])=[CH:8][CH:7]=[CH:6][C:5]=1[C:12]1[CH:16]=[C:15]([CH2:17][CH2:18][C@@:19]([CH... | 1 |
C(OC(=O)C)C.Cl.C(OC([NH:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[NH:22][C:23](=[O:55])[C:24]1[CH:29]=[CH:28][C:27]([CH2:30][N:31]([CH2:45][CH2:46][CH2:47][N:48]2[CH2:53][CH2:52][N:51]([CH3:54])[CH2:50][CH2:49]2)[C:32]([NH:34][C:35]2[CH:44]=[CH:43][C:38]3[O:39][CH2:40][CH2:41][O:42][C:37]=3[CH:36]=2)=[O:33])=[CH... | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[CH:9][C:10]2[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=2)=[CH:4][CH:3]=1>CO.CCOC(C)=O.[Pd]>[OH:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH2:9][C:10]2[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=2)=[CH:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)OC(=O)N1CC(N(CC1)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O)=O>C1(=CC=CC=C1)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C)(C)(C)OC(=O)N1CCC(CC1)(NC(=O)OCC)CN1C(CN(CC1)C(=O)OCC1=CC=CC=C1)=O | 3 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=C(C(=C(C1)F)F)[N+](=O)[O-]>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>FC=1C=C(C=C(C1F)[N+](=O)[O-])C=1C=NN(C1)C | 3 |
FC(C=1C=C(CNC(C2=CC(=NC=C2)C2=C(C=CC(=C2)OC2CCOCC2)[N+](=O)[O-])=O)C=CC1)(F)F>>FC(C=1C=C(CNC(C2=CC(=NC=C2)C2=C(C=CC(=C2)OC2CCOCC2)N)=O)C=CC1)(F)F | 5 |
[Na].[ClH:2].[NH2:3][CH2:4][CH2:5][SH:6].[CH:7]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=1)=[CH2:8]>C(O)C>[ClH:2].[ClH:2].[N:10]1[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=1[CH2:7][CH2:8][S:6][CH2:5][CH2:4][NH2:3] | 1 |
C[O:2][C:3]1[CH:26]=[CH:25][C:6]([O:7][C:8]2[C:22]([CH3:23])=[CH:21][C:11]3[C:12]([CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:13][O:14][C:10]=3[C:9]=2[CH3:24])=[CH:5][CH:4]=1.[Cl-].[Al+3].[Cl-].[Cl-].C(S)C>ClCCl>[OH:2][C:3]1[CH:4]=[CH:5][C:6]([O:7][C:8]2[C:22]([CH3:23])=[CH:21][C:11]3[C:12]([CH2:15][C:16]([O:18]... | 1 |
BrCCO.ClC1=C(C=CC=C1)C12N(CC(NC3=C1C=C(C=C3)[N+](=O)[O-])=O)CCO2>N(C)(C)C=O.[H-].[Na+]>ClC1=C(C=CC=C1)C12N(CC(N(C3=C1C=C(C=C3)[N+](=O)[O-])CCO)=O)CCO2 | 3 |
Cl.CONC.C(C1=CC=CC=C1)OC(=O)NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C>CC#N.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>CON(C([C@@H](CCCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C)=O)C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C1(=CC=CC=C1)SCCN>>C(C)(C)(C)OC(=O)NCCSC1=CC=CC=C1 | 5 |
CC(CN)=C.FC=1C(=NC2=CC=CC(=C2N1)C1=CC=2C(NCCC2N1)=O)C>CS(=O)C>CC1=NC2=CC=CC(=C2N=C1NCC(=C)C)C1=CC=2C(NCCC2N1)=O | 3 |
C(C)OC(=O)C1=C(N=C(O1)COC1=CC=CC=C1)CCNC(=O)OCC1=CC=CC=C1>>C(C)OC(=O)C1=C(N=C(O1)COC1=CC=CC=C1)CCN | 5 |
ClC=1C(=NC=CC1)Cl.C1(=CC=CC=C1)NC=1C2=C(N=CN1)CCNC2>C(C)(C)N(C(C)C)CC.O1CCOCC1.CN(C(C)=O)C>C(C1=CC=CC=C1)N1CC2=C(N=CN=C2NC2=CC=CC=C2)CC1 | 3 |
NC1=NC(=CC(=N1)C1=NN(C=C1CC=1C=C(C(=O)OC)C=CC1C1CC1)C(F)F)Cl>C1CCCO1.CC(C)C[AlH]CC(C)C.[Cl-].[NH4+]>NC1=NC(=CC(=N1)C1=NN(C=C1CC=1C=C(C=CC1C1CC1)CO)C(F)F)Cl | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)C1=C(NC2=C3C=C(N=CC3=CC=C21)Cl)C>C1(=CC=NC=C1)N(C)C.COCCOCCOC>C(C)(C)(C)OC(=O)N1C(=C(C=2C1=C1C=C(N=CC1=CC2)Cl)C(=O)OC(C)(C)C)C | 3 |
[C:1]([O:4][CH2:5][C:6]1[C:24]([F:25])=[C:23]([NH2:26])[C:9]2[C:10](=[O:22])[CH:11]=[C:12]([C:14]3[CH:19]=[CH:18][C:17]([NH2:20])=[C:16]([F:21])[CH:15]=3)[O:13][C:8]=2[C:7]=1[F:27])(=[O:3])[CH3:2].[Br:28][CH2:29][CH2:30][C:31](O)=[O:32].Cl.CN(C)CCCN=C=NCC.O>CN(C)C=O>[C:1]([O:4][CH2:5][C:6]1[C:24]([F:25])=[C:23]([NH2:26... | 1 |
O.O.[Sn](Cl)(Cl)(Cl)Cl.[CH2:8]([N:15]([CH3:40])[CH2:16][CH2:17][CH2:18][NH:19][C:20]1[CH:36]=[CH:35][C:23]([C:24]([N:26]([CH2:31][CH:32]([CH3:34])[CH3:33])[CH2:27][CH:28]([CH3:30])[CH3:29])=[O:25])=[CH:22][C:21]=1[N+:37]([O-])=O)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.C([O-])(O)=O.[Na+]>C(OCC)(=O)C>[NH2:37][C:21]... | 1 |
[Cl:1][C:2]1[C:3]([C:23]2[N:27]3[CH:28]=[CH:29][CH:30]=[CH:31][C:26]3=[N:25][CH:24]=2)=[N:4][C:5]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([O:15][C@H:16]3[CH2:20][CH2:19][NH:18][CH2:17]3)=[CH:11][C:10]=2[O:21][CH3:22])=[N:6][CH:7]=1.[OH:32][CH:33]([CH3:37])[C:34](O)=[O:35]>>[Cl:1][C:2]1[C:3]([C:23]2[N:27]3[CH:28]=[CH:29][CH:3... | 2 |
[Cl:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[C:5]([C:16]([OH:18])=O)[C:6](=[O:15])[N:7]2[CH:12]([CH3:14])[CH3:13].C(Cl)(=O)C(Cl)=O.CN(C)C=O.[NH2:30][CH2:31][CH:32]1[CH2:37][CH2:36][N:35]([CH2:38][C:39]2([OH:45])[CH2:44][CH2:43][O:42][CH2:41][CH2:40]2)[CH2:34][CH2:33]1>ClCCl>[Cl:1][C:2]1[CH:11]=[CH:10][CH:9]=[... | 1 |
NC[C@@H](C)O.CC=1C=C(C=C2C=C(NC12)C=1SC(CN1)CC(=O)O)OC=1C=NC(=CC1)S(=O)(=O)C>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>O[C@@H](CNC(CC1CN=C(S1)C=1NC2=C(C=C(C=C2C1)OC=1C=NC(=CC1)S(=O)(=O)C)C)=O)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]2[CH:18]=[CH:17][C:16]([NH2:19])=[CH:15][CH:14]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].C([Li])CCC.[Cl:25][C:26]1[CH:27]=[CH:28][C:29]([OH:39])=[C:30]([C:32](=[O:38])[C:33](OCC)=[O:34])[CH:31]=1.Cl>ClCCl.O1CCCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]2[CH:1... | 1 |
CC1=NC=CC=C1OC=1C(=NC=C(C1)SC1=NC=CC=C1)NC1=NC(=NS1)[C@@H]1OC2(OC1)CCCCC2>>Cl.CC1=NC=CC=C1OC=1C(=NC=C(C1)SC1=NC=CC=C1)NC1=NC(=NS1)[C@@H](CO)O | 5 |
ClC1=NC=NC(=C1)Cl.OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)C)C(C)(C)C)C=CC=C1>O.[OH-].[Na+].CC(=O)C>ClC1=CC(=NC=N1)OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)C)C(C)(C)C)C=CC=C1 | 3 |
ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC(=O)NCC2=CC=C(C(=O)O)C=C2)C2=C(C(=CC=C2)OC)OC)C1>>C(C)(=O)OCC(CN1C([C@H](O[C@@H](C2=C1C=CC(=C2)Cl)C2=C(C(=CC=C2)OC)OC)CC(=O)NCC2=CC=C(C(=O)O)C=C2)=O)(C)C | 5 |
NC(C1SC(C(O)=O)=CC=1)C.[CH3:12][C:13]([CH3:27])([CH3:26])[CH2:14][C:15]([C:17]1[CH:25]=[CH:24][C:20]([C:21]([OH:23])=O)=[CH:19][CH:18]=1)=[O:16].[NH2:28][C:29]1[CH:34]=[CH:33][N:32]=[CH:31][CH:30]=1>>[CH3:26][C:13]([CH3:12])([CH3:27])[CH2:14][C:15]([C:17]1[CH:18]=[CH:19][C:20]([C:21]([NH:28][C:29]2[CH:34]=[CH:33][N:32]... | 2 |
SC1=CC=C(C=C1)NC(=O)C1CC1.ClC1=NC=2N(C(=C1)NC1=NNC(=C1)C)C=CN2>>CC1=CC(=NN1)NC1=CC(=NC=2N1C=CN2)SC2=CC=C(C=C2)NC(=O)C2CC2 | 5 |
[CH3:1][O:2][C:3]1[S:7][C:6]([N:8]=[C:9]=[O:10])=[N:5][N:4]=1.[CH2:11]([NH:13][CH2:14][CH2:15][CH:16]=[O:17])[CH3:12]>C1C=CC=CC=1>[CH2:11]([N:13]([CH2:14][CH2:15][CH:16]=[O:17])[C:9]([NH:8][C:6]1[S:7][C:3]([O:2][CH3:1])=[N:4][N:5]=1)=[O:10])[CH3:12] | 1 |
Cl[Si](C(C)C)(C(C)C)C(C)C.OC=1C=C2C=CNC2=NC1>>C(C)(C)[Si](OC=1C=C2C(=NC1)NC=C2)(C(C)C)C(C)C | 5 |
BrC=1C=C(C(=CC1)N)N.N1=CN=CC(=C1)CC(=O)O>>NC1=C(C=C(C=C1)Br)NC(CC=1C=NC=NC1)=O | 5 |
COC1=CC=C(C(=O)C2=CC(=C(S2)C2=CC=C(C=C2)OC)CC(=O)OCC)C=C1>CCO[H].[OH-].[Na+]>COC1=CC=C(C(=O)C2=CC(=C(S2)C2=CC=C(C=C2)OC)CC(=O)O)C=C1 | 3 |
[CH3:1][N:2]([CH3:31])[CH2:3][CH2:4][NH:5][C:6]([C:8]1[C:24]2[C:12](=[C:13]([CH3:30])[C:14]3[N:15]([CH3:29])[C:16]4[CH:17]=[CH:18][C:19]([O:25][C:26](=[O:28])[CH3:27])=[CH:20][C:21]=4[C:22]=3[CH:23]=2)[CH:11]=[CH:10][N:9]=1)=[O:7].[Cl:32]C1C=C(C=CC=1)C(OO)=[O:37]>ClCCl>[ClH:32].[ClH:32].[CH3:31][N:2]([CH3:1])[CH2:3][CH... | 1 |
[N:1]1([C:6]([O:8][CH2:9][C@H:10]2[CH2:14][C@@H:13]([NH:15][S:16]([C:19]3[CH:24]=[C:23]([Br:25])[CH:22]=[CH:21][C:20]=3[Br:26])(=[O:18])=[O:17])[CH2:12][N:11]2[C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])=[O:7])[CH:5]=[CH:4]N=[CH:2]1>C1(C)C=CC=CC=1.C(Cl)Cl>[Br:26][C:20]1[CH:21]=[CH:22][C:23]([Br:25])=[CH:24]... | 2 |
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