smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:12][CH2:11][C:10]3([CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]3)[C:9]2=[O:18])=[C:4]([F:19])[CH:3]=1.[CH3:20][C@H:21]1[CH2:25][CH2:24][CH2:23][N:22]1[C@H:26]1[CH2:30][CH2:29][NH:28][CH2:27]1.CC(C)([O-])C.[Na+]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=... | 2 |
[NH:1]1[CH2:8][CH2:7][CH2:6][C@H:2]1[C:3]([NH2:5])=O.[CH2:9]([C:16]([CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=O)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3].C([O-])(O)=O.[Na+]>C1COCC1.CO.CCOC(C)=O>[CH2:18]([CH:16]([N:1]1[CH2:8][CH2:7][CH2:6][C@H:2]1[CH2:3][NH2:5])[CH2:9]... | 2 |
FC=1C(=NC=CC1)CNC(=O)C=1N=C(OC1)C=C.Cl.Cl.C1(=CC(=CC=C1)C1=CC2=C(NC(=N2)CCN)C=C1)C>O.Cl.[OH-].[Na+]>FC=1C(=NC=CC1)CNC(=O)C=1N=C(OC1)CCNCCC1=NC2=C(N1)C=CC(=C2)C=2C=C(C=CC2)C | 3 |
NC=1C(=NC(=NC1C(NC1=C(C=CC=C1)F)=O)OC[C@H]1N(CCC1)C)N1[C@H](CN(CC1)C(=O)OC(C)(C)C)C>CC#N.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.[Cl-].[NH4+]>FC1=C(C=CC=C1)N1C(=NC2=C(N=C(N=C2N2[C@H](CN(CC2)C(=O)OC(C)(C)C)C)OC[C@H]2N(CCC2)C)C1=O)C(F)(F)F | 3 |
Cl.CN1C(C(C=2C1=CN=C(C2)C2=NSC(=N2)NC2=NC=C(C=C2NC)C(F)(F)F)(C)C)=O>N(C)(C)C=O.CCN(CC)CC.C(C)(=O)OC(C)=O>CN(C(C)=O)C=1C(=NC=C(C1)C(F)(F)F)NC1=NC(=NS1)C=1C=C2C(=CN1)N(C(C2(C)C)=O)C | 3 |
[H-].[Na+].[CH:3]1([CH2:6][NH:7][C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10]([C:16]([F:19])([F:18])[F:17])[CH:9]=2)[CH2:5][CH2:4]1.Br[CH2:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23].C(OCC)C>CN(C=O)C>[C:12]([C:11]1[CH:14]=[CH:15][C:8]([N:7]([CH2:6][CH:3]2[CH2:5][CH2:4]2)[CH2:21][C:22]([O:24][C:25]([C... | 1 |
[CH3:1][O:2][C:3]1[C:4]([C:14](O)([CH3:16])[CH3:15])=[CH:5][C:6]2[CH2:7][CH2:8][CH2:9][CH:10]([CH3:13])[C:11]=2[CH:12]=1.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>C(Cl)Cl>[CH:14]([C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][C:3]=1[O:2][CH3:1])[CH:10]([CH3:13])[CH2:9][CH2:8][CH2:7]2)([CH3:16])[CH3:15] | 1 |
CC=1C(=NC(=NC1)NC1CCOCC1)N1C=NC(=C1)C(=O)OC>O.C1CCCO1.Cl.C[Si]([O-])(C)C.[K+]>CC=1C(=NC(=NC1)NC1CCOCC1)N1C=NC(=C1)C(=O)O | 3 |
[CH2:1]([O:3][C:4]([C:6]1[N:7]=[C:8](Br)[S:9][C:10]=1[CH:11]([CH3:13])[CH3:12])=[O:5])[CH3:2].NC(N)=[S:17]>C(O)C>[CH2:1]([O:3][C:4]([C:6]1[N:7]=[C:8]([SH:17])[S:9][C:10]=1[CH:11]([CH3:13])[CH3:12])=[O:5])[CH3:2] | 2 |
[C:1]([C:3]1[C:4]([C:21]2[CH:26]=[CH:25][C:24]([N+:27]([O-:29])=[O:28])=[CH:23][CH:22]=2)=[N:5][S:6][C:7]=1[NH:8][C:9]([NH:11][CH2:12][CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][O:18][CH2:17][CH2:16]1)=[O:10])#[N:2].[OH:30]S(O)(=O)=O>>[N:15]1([CH2:14][CH2:13][CH2:12][NH:11][C:9]([NH:8][C:7]2[S:6][N:5]=[C:4]([C:21]3[CH:22]=... | 1 |
[CH2:1]([C:6]12[CH2:13][CH2:12][C:9]([C:14]3[CH:21]=[CH:20][C:17]([CH:18]=[O:19])=[CH:16][CH:15]=3)([CH2:10][CH2:11]1)[CH2:8][CH2:7]2)[CH2:2][CH2:3][CH2:4][CH3:5].[OH:22][CH2:23]C(CO)O.[C:28]1([CH3:34])C=CC=CC=1.C1(C)C=CC=CC=1.[OH2:42]>>[OH:42][C@@H:28]1[CH2:34][O:19][C@@H:18]([C:17]2[CH:20]=[CH:21][C:14]([C:9]34[CH2:8... | 1 |
N1C=CC(N2CCC([CH2:13][NH:14][C:15]3[C:20]([C:21]([O-:23])=[O:22])=[CH:19][CH:18]=[CH:17][N:16]=3)CC2)=CC=1.[NH4+].C(Cl)(Cl)=[O:26]>O1CCOCC1>[C:20]12[C:15](=[N:16][CH:17]=[CH:18][CH:19]=1)[NH:14][C:13](=[O:26])[O:23][C:21]2=[O:22] | 1 |
C1(=CC=CC=C1)[Mg]Cl.BrC=1C=NN(C1C=O)C>>BrC1=C(N(N=C1)C)C(O)C1=CC=CC=C1 | 5 |
[Cl:1][C:2]1[CH:16]=[CH:15][C:5]2[C@@H:6]3[C@@H:11]([CH2:12][CH2:13][C:4]=2[CH:3]=1)[NH:10][C:9](=[O:14])[CH2:8][CH2:7]3.[CH3:17]I>C1COCC1>[Cl:1][C:2]1[CH:16]=[CH:15][C:5]2[C@@H:6]3[C@@H:11]([CH2:12][CH2:13][C:4]=2[CH:3]=1)[N:10]([CH3:17])[C:9](=[O:14])[CH2:8][CH2:7]3 | 1 |
[CH2:1]([NH:8][CH2:9][CH2:10][O:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][C:19]([NH2:21])=[O:20])=[CH:14][CH:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:22]1[O:30][C@@H:23]1[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>CC(O)C>[CH2:1]([N:8]([CH2:9][CH2:10][O:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:18][C:19]([NH2:21... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:25][C:26]([OH:28])=O)[CH:5]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([C:15](=[O:23])[C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)=[CH:11][C:10]=2[Cl:24])[CH:7]=1.[F:29][C:30]([F:37])([F:36])[CH2:31][S:32]([NH2:35])(=[O:34])=[O:33]>>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:25][C:26]([NH:35][S:3... | 2 |
NC[C@@H]1C[C@H](O)C1.CS([O:12][C@H:13]1[CH2:16][C@@H:15]([CH2:17][N:18]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH3:19])[CH2:14]1)(=O)=O.[Cl:27][C:28]1[CH:29]=[C:30](O)[CH:31]=[C:32]([F:40])[C:33]=1[CH2:34][N:35]1[CH2:39][CH2:38][CH2:37][CH2:36]1.C([O-])([O-])=O.[Cs+].[Cs+]>CS(C)=O.CCOC(C)=O.O>[Cl:27][... | 1 |
CN1N=C(C(=C1S(=O)(=O)NC(=S)NC1=NC(=CC(=N1)C)C)C(=O)OCC)C>CO[H].BrN1C(CCC1=O)=O>COC1=NC=2N(C(=C1)OC)SC(N2)=NS(=O)(=O)C2=C(C(=NN2C)C)C(=O)OCC | 3 |
F[B-](F)(F)F.C(C)[O+](CC)CC.C(#N)C1=CC=C(C=C1)C(NC(=O)NC1=CC(=CC=C1)C(F)(F)F)C1=C(CC(CC1=O)C(F)(F)F)O>>C(#N)C1=CC=C(C=C1)C(NC(=O)NC1=CC(=CC=C1)C(F)(F)F)C1=C(CC(CC1=O)C(F)(F)F)OCC | 5 |
COC1=C(C=C2C(=NC(=NC2=C1)C1=CC(=CC=C1)[N+](=O)[O-])NC=1C=C2C=NN(C2=CC1)C(=O)[O-])OCCCN1CCOCC1>>NC=1C=C(C=CC1)C1=NC2=CC(=C(C=C2C(=N1)NC=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C)OCCCN1CCOCC1)OC | 5 |
Cl[C:2]1[C:7]([F:8])=[C:6]([C:9]2[CH:10]=[C:11]([CH:13]=[CH:14][C:15]=2[CH3:16])[NH2:12])[CH:5]=[C:4]([N:17]2[CH2:22][CH2:21][O:20][CH2:19][CH2:18]2)[N:3]=1.[NH2:23][CH2:24][CH2:25][OH:26].CCN(C(C)C)C(C)C>CN1C(=O)CCC1.C(OCC)(=O)C>[NH2:12][C:11]1[CH:13]=[CH:14][C:15]([CH3:16])=[C:9]([C:6]2[CH:5]=[C:4]([N:17]3[CH2:22][CH... | 2 |
C(C)(C)(C)OC(NCC1(CCN(CC1)C1=NC(=CN=C1C#N)N)C)=O>ClCCl.BrN1C(CCC1=O)=O>C(C)(C)(C)OC(NCC1(CCN(CC1)C1=NC(=C(N=C1C#N)Br)N)C)=O | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[CH:11][CH:10]=2)[CH:5]=[CH:6][C:7]=1[OH:8].[H-].[Na+].Br[CH2:23][CH2:24][CH2:25][O:26][Si:27]([C:30]([CH3:33])([CH3:32])[CH3:31])([CH3:29])[CH3:28]>CN(C)C=O>[Br:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([O:17][CH2... | 1 |
BrC1CCOCC1.NC1=C(N=CN1C=1C=C(C(=O)NC2CC2)C=CC1C)C#N>>NC1=C(N=CN1C=1C=C(C(=O)NC2CC2)C=CC1C)C(=O)C1CCOCC1 | 5 |
[I:1]Cl.C(Cl)Cl.[F:6][C:7]1[CH:8]=[C:9]2[C:13](=[C:14]([F:16])[CH:15]=1)[NH:12][CH:11]=[CH:10]2.[C:17]1([S:23](Cl)(=[O:25])=[O:24])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>N1C=CC=CC=1.C1(C)C=CC=CC=1.[OH-].[Na+].[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[C:17]1([S:23]([N:12]2[C:13]3[C:9](=[CH:8][C:7]([F:6])=[CH:15][C:14]=3[F:16])... | 1 |
C1COCCN1.ClCCCCS(=O)(=O)Cl.Cl.C(C)(C)OC=1C=2N(C=NC1C=1C=NNC1)N=C(N2)N[C@@H]2[C@@H](CNCC2)C>CC#N.O.C(C)(C)N(C(C)C)CC.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)OC=1C=2N(C=NC1C=1C=NNC1)N=C(N2)N[C@@H]2[C@@H](CN(CC2)S(=O)(=O)CCCCN2CCOCC2)C | 3 |
[N+](=O)([O-])C1=C2C(CNC2=CC=C1)CC(=O)OCC>>N1CC2CC(NC=3C=CC=C1C23)=O | 5 |
C(C)(C)(C)OC(=O)N[C@H]([C@@H](C(=O)O)O)CC1=CC=CC=C1>ClCCl.Cl>N[C@H]([C@@H](C(=O)O)O)CC1=CC=CC=C1 | 3 |
NC1=CC=CC=C1.Cl.FC1=C(C=CC(=C1)F)C(CC(=N)SC1=CC=C(C=C1)Cl)=O>>NC(=CC(=O)C1=C(C=C(C=C1)F)F)NC1=CC=CC=C1 | 5 |
FC=1C=C(C=CC1)B(O)O.ClC=1C(=C(C=CC1)C[C@@H]1N(CC([C@@H]1NS(=O)(=O)CC)(F)F)C(=O)OC(C)(C)C)F>Cl.[HH].COCCOC.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CC(C1=CC(C(C)C)=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=C1)C.NC5=C(C=CC=C5)C6=C(C=CC=C6)[Pd]OS(C)(=O)=O>Cl.FC1=C(C=CC=C1C[C@@H]1NCC([C@@H]1NS(=O)(=O)CC)(F)F)C1=CC(=CC=C1)F | 3 |
[CH3:1][C:2]([O:7][C:8]1[CH:16]=[CH:15][C:14]([CH3:17])=[C:13]2[C:9]=1[CH2:10][CH2:11][CH2:12]2)([CH3:6])[C:3](O)=[O:4].B.O1CCCC1.C(=O)([O-])O.[Na+]>O1CCCC1>[CH3:6][C:2]([O:7][C:8]1[CH:16]=[CH:15][C:14]([CH3:17])=[C:13]2[C:9]=1[CH2:10][CH2:11][CH2:12]2)([CH3:1])[CH2:3][OH:4] | 2 |
[F:1][C:2]1[N:3]=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][C:8]([C:12]([OH:14])=O)=[CH:7][CH:6]=2.N1(C(N2C=CN=C2)=O)C=CN=C1.[NH2:27][NH:28][C:29]([NH2:31])=[S:30]>CN(C=O)C>[F:1][C:2]1[N:3]=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][C:8]([C:12]([NH:27][NH:28][C:29]([NH2:31])=[S:30])=[O:14])=[CH:7][CH:6]=2 | 1 |
[CH2:1]([C:5]12[CH2:12][CH2:11][CH:8]([CH:9]=[CH:10]1)[CH2:7][C:6]2=[O:13])[CH2:2][CH2:3][CH3:4].C(C1C=CC=CC=1)(=O)C>C1CCCCC1>[CH2:1]([C:5]12[CH:9]3[CH:8]([CH2:7][C:6](=[O:13])[CH:10]13)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH3:4] | 1 |
BrC1=CC=C(C=C1)CCS(=O)(=O)[O-].[Na+]>>BrC1=CC=C(C=C1)CCS(=O)(=O)Cl | 5 |
[Br:1][C:2]1[C:9]([OH:10])=[C:8]([OH:11])[C:7]([N+:12]([O-:14])=[O:13])=[CH:6][C:3]=1[CH:4]=[O:5].[CH2:15](Br)[CH3:16].[CH:18](N(CC)C(C)C)(C)[CH3:19].O>CN(C)C=O>[Br:1][C:2]1[C:9]([O:10][CH2:18][CH3:19])=[C:8]([O:11][CH2:15][CH3:16])[C:7]([N+:12]([O-:14])=[O:13])=[CH:6][C:3]=1[CH:4]=[O:5] | 1 |
[O:1]([CH2:8][C:9]1[CH:10]=[CH:11][C:12]([CH2:15][N:16]2C(=O)C3C(=CC=CC=3)C2=O)=[N:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O.NN>C(O)C.O1CCCC1>[O:1]([CH2:8][C:9]1[CH:10]=[CH:11][C:12]([CH2:15][NH2:16])=[N:13][CH:14]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
C/C(=C\C#N)/N.BrC1=CC=C(C=C1)C1=NNC(=C1)N>C(C)(=O)O>BrC1=CC=C(C=C1)C1=NN2C(N=C(C=C2N)C)=C1 | 3 |
C1(=CC=CC=C1)N=C=O.C(C)(C)(C)OC(CCC1CN(CCN1)C1=NC(=C(C(=O)OCC)C=C1C#N)C(F)(F)F)=O>>N(C1=CC=CC=C1)C(=O)N1C(CN(CC1)C1=NC(=C(C(=O)OCC)C=C1C#N)C(F)(F)F)CCC(=O)OC(C)(C)C | 5 |
CC1(CC(CC(C1)=O)=O)C.CC(=O)/C=N/O>>CC1=CNC=2CC(CC(C12)=O)(C)C | 5 |
C1(CC1)C=1C(=NC=C(C1)N)N.S1C=NC2=C1C=CC(=C2)[C@@H]2N(C[C@H](CC2)C)C(C(=O)[O-])=O.[Li+]>N(C)(C)C=O.O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=C(C=C(C=N1)NC(C(=O)N1[C@H](CC[C@@H](C1)C)C=1C=CC2=C(N=CS2)C1)=O)C1CC1 | 3 |
[CH2:1]([S:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1B1OC(C)(C)C(C)(C)O1)[CH3:2].Cl[C:20]1[CH:29]=[N:28][C:27]2[C:22](=[CH:23][CH:24]=[C:25]([C:30]([F:33])([F:32])[F:31])[CH:26]=2)[N:21]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].O1CCOCC1>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC... | 1 |
BrC1=C(C(=O)O)C=C(C(=C1)C)Br>S(O)(O)(=O)=O.CO[H]>BrC1=C(C(=O)OC)C=C(C(=C1)C)Br | 3 |
FC(C(=O)[O-])(F)F.CC1=NC(=NN1CC1=CC(=NC=C1)N1CC[NH2+]CC1)C1=NC(=NO1)C1=CC=C(C=C1)OC(F)(F)F>>CC1=NC(=NN1CC1=CC(=NC=C1)N1CCN(CC1)C)C1=NC(=NO1)C1=CC=C(C=C1)OC(F)(F)F | 5 |
COC1=CC=C(CSC(=C(C(=O)OCC)C(=O)OCC)SCC2=CC=C(C=C2)OC)C=C1.BrC1=CC(=NC=C1)CCC>C1CCCO1>COC1=CC=C(CS\C(=C(/CC)\C2=NC=CC(=C2)Br)\C(C(=O)OCC)C(=O)OCC)C=C1 | 3 |
ClC1=CC=C(OC2=C(N)C=CC=C2)C=C1.C(C)(=O)N1CCC(CC1)C(=O)NC1=C(C=CC=C1)C(C)=O>>C(C)(=O)N1CCC(CC1)C(=O)NC1=C(C=CC=C1)C(C)NC1=C(C=CC=C1)OC1=CC=C(C=C1)Cl | 5 |
Cl.[CH:2]1([CH2:5][O:6][C:7]2[CH:12]=[C:11]([F:13])[CH:10]=[CH:9][C:8]=2[C:14]2[C:15]3[NH:22][C:21]([CH3:23])=[C:20]([C:24]([NH:26][CH:27]4[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]4)=[O:25])[C:16]=3[N:17]=[CH:18][N:19]=2)[CH2:4][CH2:3]1.[C:33](Cl)(=[O:35])[CH3:34]>>[C:33]([N:30]1[CH2:29][CH2:28][CH:27]([NH:26][C:24]([C:2... | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][C:3]=1[C:9](=[O:11])[CH3:10].[CH2:12](Cl)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[C:20](=O)([O-])[O-].[K+].[K+].C1O[CH2:42][CH2:41]OCCOCCOCCOCCOC1.[CH3:44][C:45](=O)[CH2:46][CH3:47]>>[CH2:12]([O:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:20][C:42]2[CH:41]=[CH:47][CH:46]=[C... | 1 |
C(C)(C)C=1C=C(C=O)C=C(C1O)C(C)C.C1(=CC=CC=C1)CCCNC(CC#N)=O>>C(C)(C)C=1C=C(C=C(C1O)C(C)C)/C=C(\C#N)/C(=O)NCCCC1=CC=CC=C1 | 5 |
C1(CC1)C(=O)Cl.NC=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-]>c1ccncc1>[N+](=O)([O-])C1=CC2=C(N=C(S2)NC(=O)C2CC2)C=C1 | 3 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[N:5]=[C:4]([NH:14][C:15](=[O:32])[CH2:16][CH2:17][C:18]([C:20]2[CH:25]=[CH:24][C:23]([O:26][CH2:27][CH3:28])=[C:22]([O:29][CH2:30][CH3:31])[CH:21]=2)=[O:19])[CH:3]=1.C1(C2C=CC=CC=2)C=CC=CC=1P(C1CCCCC1)C1CCCCC1.C(=O)([O-])[O-].[K+].[K+].[OH:64][CH2:65][C... | 2 |
[NH2:1][C:2]1[N:6]=[C:5]([SH:7])[NH:4][N:3]=1.[C:8](OCC)(=[O:13])[CH2:9][C:10]([CH3:12])=O.N1CCCCC1>C(O)C>[OH:13][C:8]1[N:3]2[N:4]=[C:5]([SH:7])[N:6]=[C:2]2[N:1]=[C:10]([CH3:12])[CH:9]=1 | 1 |
FC(C(=O)OC(C(F)F)=O)F.FC1=C(CN(C(=O)N2CC3(COC3)C2)C=2C=C(C=CC2)C)C=CC(=C1)C(=O)NN>O.C1CCCO1.CCN(CC)CC>FC(C1=NN=C(O1)C1=CC(=C(CN(C(=O)N2CC3(COC3)C2)C=2C=C(C=CC2)C)C=C1)F)F | 3 |
C[C@H]1N(C[C@@H](CC1)C)C(C(=O)NC=1C=C(C(=NC1)NC(OC(C)(C)C)=O)C)=O>O.O1CCOCC1>NC1=C(C=C(C=N1)NC(C(=O)N1[C@@H](CC[C@H](C1)C)C)=O)C | 3 |
CN([C@H]1CN(CC1)C1=CC(=C(C=C1[N+](=O)[O-])NC1=NC=CC(=N1)C=1C=NN2C1C=CC=C2)OC)C>O.CO[H].ClCCl.[Fe].CCO[H].[Cl-].[NH4+]>CN([C@H]1CN(CC1)C1=C(C=C(C(=C1)OC)NC1=NC=CC(=N1)C=1C=NN2C1C=CC=C2)N)C | 3 |
Cl.[OH:2][CH:3]1[CH2:8][CH2:7][CH2:6][NH:5][CH2:4]1.Cl[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11].C(N(CC)CC)C>O1CCOCC1.O>[CH2:13]([O:12][C:10]([N:5]1[CH2:6][CH2:7][CH2:8][CH:3]([OH:2])[CH2:4]1)=[O:11])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
NO.COC=1C=C(C=CC1)CCOC1=CC=C(C=C1)CCC(=O)OCC>>C(C)C=1C(=NOC1C1=CC=C(C=C1)OCCC1=CC(=CC=C1)OC)O | 5 |
[CH3:1][O:2][C:3]1[C:4]([N+:12]([O-:14])=[O:13])=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([OH:8])=O.[NH2:15][C:16]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][N:17]=1.O=P(Cl)(Cl)Cl>N1C=CC=CC=1>[Cl:22][C:19]1[CH:20]=[CH:21][C:16]([NH:15][C:6]([C:5]2[CH:9]=[CH:10][CH:11]=[C:3]([O:2][CH3:1])[C:4]=2[N+:12]([O-:14])=[O:13])=[O:8])=[N... | 2 |
[CH:1]1([C:7]2([C:10]([NH:12][C:13]3[C:22]([Cl:23])=[CH:21][CH:20]=[C:19]4[C:14]=3[CH:15]=[CH:16][C:17](Cl)=[N:18]4)=[O:11])[CH2:9][CH2:8]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C[N:26]([CH3:31])[CH2:27][CH2:28][CH2:29][NH2:30].[C:32](#N)C>>[ClH:23].[Cl:23][C:22]1[C:13]([NH:12][C:10]([C:7]2([CH:1]3[CH2:2][CH2:3][CH2:4][... | 1 |
[C:1]([C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([OH:13])[CH:11]=2)[N:6]([CH2:14][C:15]([OH:17])=O)[CH:5]=1)(=[O:3])[CH3:2].CCN(C(C)C)C(C)C.Cl.[Cl:28][C:29]1[C:30]([F:45])=[C:31]([CH:42]=[CH:43][CH:44]=1)[CH2:32][NH:33][C:34]([C@@H:36]1[CH2:40][C@@H:39]([F:41])[CH2:38][NH:37]1)=[O:35].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F... | 2 |
C(C)(C)(C)OC(=O)N[C@H]1CN(C[C@H](C1)NC(=O)OC(C)(C)C)C1=NC2=CC=C(C=C2N=C1N1C[C@@H](C[C@@H](C1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(C1=CC=C(C=C1)[N+](=O)[O-])=O>CO[H].C(C)(=O)OCC.[Ni].NN>NC1=CC=C(C(=O)NC=2C=C3N=C(C(=NC3=CC2)N2C[C@@H](C[C@@H](C2)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N2C[C@@H](C[C@@H](C2)NC(=O)OC(C)(C)C)NC(=O)OC(C... | 3 |
[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[N:14]([CH2:15][CH2:16][O:17][CH3:18])[C:13]3[C:19]([O:33][CH3:34])=[CH:20][C:21]([CH:23]([C:25]4[C:26]([S:31][CH3:32])=[N:27][CH:28]=[CH:29][CH:30]=4)O)=[CH:22][C:12]=3[N:11]=2)=[CH:6][CH:5]=1)([CH3:3])[CH3:2]>C(O)=O.[Zn]>[CH:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[N:14]([CH2:15][CH2... | 2 |
IC1=CC=C(C=C1)OC.N1C(CCC1)=O>[Cu]I.N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC1=CC=C(C=C1)N1C(CCC1)=O | 3 |
ClC(C1=CC=C(C=C1)C)Cl.C1(=CC=CC=C1)C1=C(C=CC=C1)NC(=N)NC1=C(C=CC=C1)C1=CC=CC=C1>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+]>C1(=CC=CC=C1)C1=C(C=CC=C1)N(C(=NC1=CC=C(C=C1)CCl)NC1=C(C=CC=C1)C1=CC=CC=C1)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]([N+:9]([O-:11])=[O:10])[CH:5]=[CH:6][C:7]=1F.C([O-])([O-])=O.[K+].[K+].[CH2:18]([NH:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:19][CH2:20][CH3:21]>CS(C)=O.O>[CH2:18]([N:22]([CH2:23][CH2:24][CH2:25][CH3:26])[C:7]1[CH:6]=[CH:5][C:4]([N+:9]([O-:11])=[O:10])=[CH:3][C:2]=1[F:1])[CH2:19][CH2:20][CH3:21] | 1 |
[F:1][C:2]([F:15])([F:14])[C:3]1[CH:13]=[CH:12][C:6](/[CH:7]=[CH:8]/[C:9](O)=[O:10])=[CH:5][CH:4]=1.C(Cl)(=O)C([Cl:19])=O>C(Cl)Cl.CN(C=O)C>[F:1][C:2]([F:15])([F:14])[C:3]1[CH:13]=[CH:12][C:6](/[CH:7]=[CH:8]/[C:9]([Cl:19])=[O:10])=[CH:5][CH:4]=1 | 2 |
[CH2:1]([N:8]([C:29]1[CH:34]=CC=C[CH:30]=1)[C:9]([C:11]1([C:15]([NH:17][S:18](/[CH:21]=[CH:22]/[C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)(=[O:20])=[O:19])=[O:16])[CH2:14][CH2:13][CH2:12]1)=[O:10])[C:2]1C=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:35]C1C=CC(NC(C)C)=CC=1>>[F:35][C:4]1[CH:5]=[CH:6][C:1]([N:8]([CH:29]([CH3:34])[C... | 1 |
C[O:2][CH:3](OC)[C:4]1[CH:9]=[CH:8][N:7]=[CH:6][C:5]=1[O:10][CH2:11][C:12]1[N:17]=[CH:16][C:15]([C:18]([OH:20])=[O:19])=[CH:14][CH:13]=1.[Cl:23]CCl.FC(F)(F)C(O)=O>CS(C)=O>[ClH:23].[CH:3]([C:4]1[CH:9]=[CH:8][N:7]=[CH:6][C:5]=1[O:10][CH2:11][C:12]1[CH:13]=[CH:14][C:15]([C:18]([OH:20])=[O:19])=[CH:16][N:17]=1)=[O:2] | 1 |
C(C=C)Br.C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.O[C@H]1C[C@H](NC1)C(=O)O>N(C)(C)C=O.[OH-].[Na+]>O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OCC=C | 3 |
BrP(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)CC1=C(C(=O)OC)C=C(C=C1)C#N.ClC=1C=C2CCN(C2=CC1)S(=O)(=O)C=1C=C(C=O)C=CC1>>C(#N)C=1C=CC(=C(C(=O)O)C1)\C=C\C1=CC(=CC=C1)S(=O)(=O)N1CCC2=CC(=CC=C12)Cl | 5 |
C(C1=CC=CC=C1)[Mg]Cl>>C(C1=CC=CC=C1)P(C(C)(C)C)C(C)(C)C | 5 |
[CH3:1][N:2]([CH3:16])[C:3](=[O:15])[C:4]1[CH:9]=[C:8]([CH3:10])[C:7]([N+:11]([O-])=O)=[C:6]([CH3:14])[CH:5]=1.[H][H]>[Pd].CO>[NH2:11][C:7]1[C:8]([CH3:10])=[CH:9][C:4]([C:3]([N:2]([CH3:16])[CH3:1])=[O:15])=[CH:5][C:6]=1[CH3:14] | 1 |
O1CCCC=C1.BrC1=CC2=C(NC=N2)C=C1F>C1CCCO1.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC1=CC2=C(N(C=N2)C2OCCCC2)C=C1F | 3 |
C(C)OC1=CC=2[C@@H]3[C@H](N=C(C2C=C1OC)C1=CC=C(C(=O)O)C=C1)CCSC3.Cl.FC1=C(CN2C(N(C(C3=C2C=C(S3)C3=C(C=C(C=C3)F)OC)=O)C3CCNCC3)=O)C=CC(=C1F)OC>>FC1=C(CN2C(N(C(C3=C2C=C(S3)C3=C(C=C(C=C3)F)OC)=O)C3CCN(CC3)C(=O)C3=CC=C(C=C3)C3=N[C@H]2[C@@H](C=4C=C(C(=CC34)OC)OCC)CSCC2)=O)C=CC(=C1F)OC | 5 |
N1(C=NC2=C1C=CC=C2)CCCO>>N1(C=NC2=C1C=CC=C2)CCC=O | 5 |
[CH:1](Cl)=[CH:2][CH:3]=[CH:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].C(Cl)CCCCCCC=CC=CC.[C:27]([O-:30])(=[O:29])[CH3:28].[K+].C(O)(=O)C>C(OCC)(=O)C.O>[C:27]([O:30][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]=[CH:9][CH:10]=[CH:11][CH3:12])(=[O:29])[CH3:28] | 1 |
ClC=1C=C(C2=C(C(OC(=N2)C=2N(N=C(C2)CSC)C2=NC=CC=C2Cl)=O)C1)C>CC#N.N>C(N)(=O)C1=C(C(=CC(=C1)Cl)C)NC(=O)C=1N(N=C(C1)CSC)C1=NC=CC=C1Cl | 3 |
C(C1=CC=CC=C1)NC>>C(C1=CC=CC=C1)N(C(C(F)(F)F)=O)C | 5 |
BrCCO.CC(C(=O)C1=CN(C2=NC=C(N=C21)C2=CC(=CC=C2)N2CCNCC2)COCC[Si](C)(C)C)(C)C>>[NH4+].[OH-].ClCCl.OCCN1CCN(CC1)C=1C=C(C=CC1)C=1N=C2C(=NC1)N(C=C2C(C(C)(C)C)=O)COCC[Si](C)(C)C | 5 |
C1(CCCCC1)CN.ClC1=C(C=CC(=C1)Cl)CN1C(=C(C(=C(C1=O)C(=O)NCC(=O)OCC)O)C(=O)OC)O>>C1(CCCCC1)CNC(=O)C=1C(=C(C(N(C1O)CC1=C(C=C(C=C1)Cl)Cl)=O)C(=O)NCC(=O)O)O | 5 |
C1(=CC=CC=C1)S.FC1=CC=C(C=C1)I>CS(=O)C.[OH-].[K+].CN(CCN(C)C)C.[O-]S(=O)(=O)C(F)(F)F.[In+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F>FC1=CC=C(C=C1)SC1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:27]=[CH:26][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][C:12]([OH:16])=[CH:13][CH:14]=3)[C:9]([CH3:17])=[C:8]2[CH2:18][C:19]([CH3:25])([CH3:24])[C:20]([O:22]C)=[O:21])=[CH:4][CH:3]=1.Br[CH2:29][C:30]1[CH:39]=[CH:38][C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[CH:31]=1.[C:40]([O-])([O-])=O.[K+].[K+].C([O... | 1 |
BrC1=C(C=CC(=C1)Cl)C(C)=O>ClCCl.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>ClC1=CC(=C(C=C1)C(C)=O)B1OC(C(O1)(C)C)(C)C | 3 |
Cl.CC(C)NCCSC1=CC=CC2=CC=CC=C12>S(O)(O)(=O)=O.[OH-].[Na+].B1(OO1)[O-].O.O.O.O.[Na+]>Cl.CC(C)NCCS(=O)C1=CC=CC2=CC=CC=C12 | 3 |
N1C(NCC1)=O.CC1=C(CBr)C=CC=C1>N(C)(C)C=O.[H-].[Na+]>CC1=C(CN2C(NCC2)=O)C=CC=C1 | 3 |
C(CC)(=O)C=1C=NC2=C(C=CC=C2C1NC1=C(C=CC=C1)C)OCCSCCC>O.ClCCl.ClC=1C=C(C(=O)OO)C=CC1.C(O)([O-])=O.[Na+]>C(CC)(=O)C=1C=NC2=C(C=CC=C2C1NC1=C(C=CC=C1)C)OCCS(=O)CCC | 3 |
C(C)(C)(C)OC(=O)N[C@@H](CC1=C(C=C(C=C1)OS(=O)(=O)C(F)(F)F)F)C(=O)N1[C@@H](CCC1)C(N)=O>C1CCCO1.ClCCl.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>C(C)(C)(C)OC(=O)N[C@@H](CC1=C(C=C(C=C1)OS(=O)(=O)C(F)(F)F)F)C(=O)N1[C@@H](CCC1)C#N | 3 |
[CH2:1]([S:6]([NH2:9])(=[O:8])=[O:7])[CH2:2][CH2:3][CH2:4][CH3:5].[OH-].[Na+].[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([N:19]=[C:20]=[O:21])=[CH:15][CH:14]=1.Cl>O.CC(C)=O>[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([NH:19][C:20]([NH:9][S:6]([CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])(=[O:8])=[O:7])=[O:21])=[CH:15][CH:14]=1 | 1 |
BrC1=C(C(=O)O)C=CC(=C1)C>>BrC1=C(C(=O)O)C=CC(=C1)CBr | 5 |
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[C:11]3[CH:17]=[CH:16][NH:15][C:12]3=[N:13][CH:14]=2)O1.Br[C:20]1[CH:21]=[CH:22][C:23]([C:56]([NH2:58])=[O:57])=[N:24][C:25]=1[C@@H:26]([NH:36][C:37](=[O:55])[CH2:38][N:39]1[C:47]2[C:46]([F:49])([F:48])[CH2:45][CH2:44][C:43]([F:51])([F:50])[C:42]=2[C:41]([CH:52]([F:54])[F:53])=[N:40]1)[CH2... | 2 |
Cl[C:2]1[C:3]([NH2:9])=[N:4][CH:5]=[N:6][C:7]=1Cl.[NH2:10][CH2:11][CH:12]1[CH2:17][CH2:16][N:15]([C:18]([O:20]C(C)(C)C)=O)[CH2:14][CH2:13]1.[C:25]1([NH:31][C:32]2[CH:37]=[CH:36][C:35](B3OC(C)(C)C(C)(C)O3)=[CH:34][CH:33]=2)[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[C:47](Cl)(=O)[CH:48]=C>>[NH2:9][C:3]1[N:4]=[CH:5][N:6]=[C... | 1 |
C(C)OC(=S)[S-].[K+].NC1=C(C#N)C(=C(C(=C1O)F)Br)C>N(C)(C)C=O.ClS(Cl)=O.c1ccncc1>BrC=1C(=C2C(N=C(O2)Cl)=C(C1C)C#N)F | 3 |
[O:1]1[C:5]([C:6]2[CH:14]=[CH:13][C:9]([C:10]([OH:12])=O)=[CH:8][CH:7]=2)=[CH:4][N:3]=[CH:2]1.[CH3:15][C:16]1([O:19][C:20]([N:22]2[CH2:27][CH2:26][CH:25]([NH:28][CH:29]3[CH2:31][CH2:30]3)[CH2:24][CH2:23]2)=[O:21])[CH2:18][CH2:17]1>>[CH3:15][C:16]1([O:19][C:20]([N:22]2[CH2:23][CH2:24][CH:25]([N:28]([CH:29]3[CH2:31][CH2:... | 2 |
CS(C)=O.FC(F)(F)C(OC(=O)C(F)(F)F)=O.[C:18]([C:20]1[CH:25]=[CH:24][C:23]([C:26]2[S:27][C:28]([C:32]([N:34]([C@H:38]([CH3:55])[C@:39]([C:47]3[CH:52]=[CH:51][C:50]([F:53])=[CH:49][C:48]=3[F:54])([OH:46])[CH2:40][N:41]3[CH:45]=[N:44][CH:43]=[N:42]3)[CH2:35][CH2:36][OH:37])=[O:33])=[C:29]([CH3:31])[N:30]=2)=[CH:22][CH:21]=1... | 1 |
[N:1]12[CH2:8][CH2:7][CH:4]([CH2:5][CH2:6]1)[CH2:3][CH:2]2[C:9](Cl)=[O:10].[NH2:12][C@H:13]1[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][C:20]2[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=2)[CH2:14]1>>[F:26][C:23]1[CH:24]=[CH:25][C:20]([CH2:19][CH2:18][N:15]2[CH2:16][CH2:17][CH:13]([NH:12][C:9]([C@@H:2]3[CH2:3][CH:4]4[CH2:7... | 1 |
[N+](=O)([O-])C=1C=C(N)C=CC1.[N+](=O)([O-])C=1C=C(C=CC1)N=C=O>>[N+](=O)([O-])C=1C=C(C=CC1)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] | 5 |
[NH2:1][C:2]1[C:3]([F:23])=[CH:4][C:5]([Cl:22])=[C:6]([CH:21]=1)[O:7][C:8]1[CH:20]=[CH:19][CH:18]=[CH:17][C:9]=1[O:10][CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13].Cl[C:25]([O:27][CH2:28][CH3:29])=[O:26].O1CCCC1.Cl>N1C=CC=CC=1>[Cl:22][C:5]1[CH:4]=[C:3]([F:23])[C:2]([NH:1][C:25]([O:27][CH2:28][CH3:29])=[O:26])=[CH:21][C... | 1 |
C(C=C)Br.CC1(C=CC(CC1)=O)C>[Li].C1CCCO1.C(C)(=O)OCC.N>CC1(CC(C(CC1)=O)CC=C)C | 3 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:11]3[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[C:12]=3[O:19][CH3:20])[O:10][C:3]=12.[CH3:21][C:22]1[C:30]([NH2:31])=[CH:29][CH:28]=[C:27]2[C:23]=1[CH:24]=[CH:25][NH:26]2>>[CH3:20][O:19][C:12]1[C:13]([O:17][CH3:18])=[CH:14][CH:15]=[CH:16][C:11]=1[C:9]1[O:10][C:3]2[C:4]... | 1 |
[Br:1][C:2]1[C:3]([F:12])=[CH:4][C:5]([F:11])=[C:6]([C:8](=O)[CH3:9])[CH:7]=1.[CH3:13][C:14]([S@:17]([NH2:19])=[O:18])([CH3:16])[CH3:15].O>C1COCC1>[Br:1][C:2]1[C:3]([F:12])=[CH:4][C:5]([F:11])=[C:6]([C:8](=[N:19][S@@:17]([C:14]([CH3:16])([CH3:15])[CH3:13])=[O:18])[CH3:9])[CH:7]=1 | 1 |
COC1=NN=C(S1)N.ClC=1C=CC(=C(C1)C1=CC(=NC=C1C(=O)O)C)OCC>CC#N.N(C)(C)C=O.CN1C=NC=C1.F[P-](F)(F)(F)(F)F.ClC(=[N+](C)C)N(C)C>ClC=1C=CC(=C(C1)C1=CC(=NC=C1C(=O)NC=1SC(=NN1)OC)C)OCC | 3 |
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