smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][CH2:2][CH:3]1[CH2:8][CH2:7][N:6]([CH:9]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:5][CH2:4]1.[OH-].[Na+].[CH:24](O)=[O:25]>C(OC(=O)C)(=O)C>[CH:24]([NH:1][CH2:2][CH:3]1[CH2:8][CH2:7][N:6]([CH:9]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:10]2[CH:11]... | 1 |
O1CCN(CC1)C=1C=NC2=CC=C(C=C2N1)C(=O)C1=CC=C(C=C1)NC(C(C)(C)C)=O>Cl.[OH-].[Na+].C(C)(=O)O>NC1=CC=C(C=C1)C(=O)C=1C=C2N=C(C=NC2=CC1)N1CCOCC1 | 3 |
[F:1][C:2]([F:22])([C:15]1[CH:20]=[CH:19][C:18]([F:21])=[CH:17][N:16]=1)[C:3]1[N:12]=[C:11]([SH:13])[C:10]2[C:5](=[CH:6][C:7]([CH3:14])=[CH:8][CH:9]=2)[N:4]=1.[OH-].[Na+].I[CH3:26]>C(O)(C)C>[F:22][C:2]([F:1])([C:15]1[CH:20]=[CH:19][C:18]([F:21])=[CH:17][N:16]=1)[C:3]1[N:12]=[C:11]([S:13][CH3:26])[C:10]2[C:5](=[CH:6][C:... | 1 |
O.N1C(=NCCC1)C1=CC=C(C=C1)NNS(=O)(=O)O.N1C(=NCCC1)C1=CC=C(C=C1)NNS(=O)(=O)O>CO[H].Cl>Cl.Cl.N(N)C1=CC=C(C=C1)C=1NCCCN1 | 3 |
N(C(C)(C)C(=O)O)C(=O)OCC1=CC=CC=C1>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C1=CC=CC=C1)OC(=O)NC(C(=O)NCCO)(C)C | 3 |
[CH3:1][CH2:2][N:3]([CH2:6][CH2:7][NH:8][C:9]([C:11]1[C:12]([CH3:29])=[C:13](/[CH:17]=[C:18]2/[C:19]3[CH:20]=[C:21]([F:28])[CH:22]=[CH:23][C:24]=3[NH:25][C:26]/2=[O:27])[NH:14][C:15]=1[CH3:16])=[O:10])[CH2:4][CH3:5].[C:30]([OH:42])(=[O:41])[CH2:31][C:32]([CH2:37][C:38]([OH:40])=[O:39])([C:34]([OH:36])=[O:35])[OH:33]>CO... | 1 |
COC=1C(=C2C(=CNC2=CC1)CN(C)C)C>N(C)(C)C=O.O.[C-]#N.[K+]>COC=1C(=C2C(=CNC2=CC1)CC#N)C | 3 |
[C:1]([O:5][C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[C:14]1[CH:19]=[CH:18][C:17]([CH2:20][N:21]2[C:25]([C:26]([O:28][CH2:29][CH3:30])=[O:27])=[C:24]([CH:31]=[O:32])[N:23]=[C:22]2[CH2:33][CH2:34][CH3:35])=[CH:16][CH:15]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:36]([Mg]Br)([CH3:39])([CH3:38])[CH3:37]>O1CCCC1>[C:1]([... | 1 |
FC1=CC=C(OCCOC2=C(C=C(C=C2)CC#N)OC)C=C1>C1CCCO1.[HH].N.[Ni]>FC1=CC=C(OCCOC2=C(C=C(C=C2)CCN)OC)C=C1 | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([CH:12]1[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1)[CH:6]=[CH:5]2.[O:18]1[CH2:20][C@H:19]1[CH2:21][O:22][C:23]1[C:28]2[O:29][CH:30]=[CH:31][C:27]=2[CH:26]=[CH:25][CH:24]=1>CO>[OH2:18].[O:29]1[CH:30]=[CH:31][C:27]2[CH:26]=[CH:25][CH:24]=[C:23]([O:22][CH2:21][C@@... | 1 |
C(C)(C)(C)OC(NCCOC1=CC=C(C=C1)C1=C(C=C(C=C1Cl)NC1=NNC(=N1)N)C(F)(F)F)=O>CO[H].Cl>Cl.NCCOC1=CC=C(C=C1)C1=C(C=C(C=C1Cl)NC1=NNC(=N1)N)C(F)(F)F | 3 |
C(C)(C)(C)C1=NN(C(=C1)CN)C1=CC(=CC=C1)Cl.FC1=CC=C(C=C1)NC(=O)C1=CC=C(C=N1)C(C(=O)O)C>>C(C)(C)(C)C1=NN(C(=C1)CNC(C(C)C=1C=CC(=NC1)C(=O)NC1=CC=C(C=C1)F)=O)C1=CC(=CC=C1)Cl | 5 |
C(C)(C)(C)OC(NC(CC1=CC=C(C=C1)OC1=CC=C(C=C1)C(NO)=O)C(N(C)C)=O)=O>>Cl.NC(CC1=CC=C(OC2=CC=C(C(=O)NO)C=C2)C=C1)C(N(C)C)=O | 5 |
[OH:1][C@@H:2]([CH3:10])[C@@H:3]([CH3:9])[C:4]([O:6][CH2:7][CH3:8])=[O:5].I(O[CH3:15])(=O)=O.[H-].[Na+].C(OCC)(=O)C>CN(C)C=O>[CH3:15][O:1][C@@H:2]([CH3:10])[C@@H:3]([CH3:9])[C:4]([O:6][CH2:7][CH3:8])=[O:5] | 1 |
[Na+].[NH2:2][C:3]1[C:4]([CH3:14])=[CH:5][C:6]([CH3:13])=[C:7]([S:9]([O-:12])(=[O:11])=[O:10])[CH:8]=1.C([O-])(O)=O.[Na+].Cl[C:21]([O:23][CH2:24][CH:25]1[C:37]2[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=2[C:31]2[C:26]1=[CH:27][CH:28]=[CH:29][CH:30]=2)=[O:22]>O1CCOCC1.O>[CH:36]1[C:37]2[CH:25]([CH2:24][O:23][C:21]([NH:2][C:3]3... | 1 |
BrCC(=O)C1=C(C=CC=C1)OC>>COC1=C(C=CC=C1)C=1N=C(SC1)N | 5 |
C1NCC12CC(C2)S(=O)(=O)N>>C(C)(C)N1CC2(C1)CC(C2)S(=O)(=O)N | 5 |
C(C1=CC=CC=C1)N(C(C(=O)C1=CC=C(C=C1)OC)C)CC1=CC=CC=C1>[HH].[Pd]>NC(C(O)C1=CC=C(C=C1)OC)C | 3 |
C(C1=CC=CC=C1)OC(=O)NC=1C(N(N=CC1C)CC1=CC=C(C=C1)OC)=O>CCO[H].[HH].C(C)(=O)OCC.[Pd]C>NC=1C(N(N=CC1C)CC1=CC=C(C=C1)OC)=O | 3 |
[N:1]([CH2:4][CH2:5][CH2:6][NH:7][C:8](=[O:32])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25]([O:27]C(C)(C)C)=[O:26])=[N+:2]=[N-:3].C(O)(C(F)(F)F)=O>C(Cl)Cl>[N:1]([CH2:4][CH2:5][CH2:6][NH:7][C:8](=[O:32])[CH2:9][CH2:10][CH2:11][CH2:1... | 2 |
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].BrC1=C(N(N=C1)C)C1=C(C2=CC=CC=C2C=C1)C#N.C(C)(C)(C)S(=O)NC(C(F)F)C1=NNC(C2=CC=C(C=C12)B(O)O)=O>O.[Fe].O1CCOCC1.C(O)([O-])=O.[Na+].Cl[Pd]Cl>C(#N)C1=C(C=CC2=CC=CC=C12)C1=C(C=NN1C)C1=CC=C2C(NN=C(C2=C1)C(C(F)F)NS(=O)C(C)(C)C)=O | 3 |
C(C)N.ClC1=NC=C(C(=N1)Cl)C(=O)OCC>ClCCl.CCN(CC)CC>C(C)OC(=O)C=1C(=NC(=NC1)Cl)NCC | 3 |
CC1(OB(OC1(C)C)C=1C=C2C=CNC2=CC1)C.CC1CN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C>O.ClCCl.[Fe].O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].Cl[Pd]Cl.C1(CCCC1)P(C1=CC=CC=C1)C1=CC=CC=C1>N1C=CC2=CC(=CC=C12)C1=CCC(CN1C(=O)OC(C)(C)C)C | 3 |
[C:1]1([C:7]2[CH:16]=[CH:15][CH:14]=[CH:13][C:8]=2[C:9]([NH:11][NH2:12])=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:17]([N:21]=[C:22]=[O:23])[CH:18]([CH3:20])[CH3:19].C(OCC)C.C1CCCCC1>O1CCCC1>[C:1]1([C:7]2[CH:16]=[CH:15][CH:14]=[CH:13][C:8]=2[C:9]([NH:11][NH:12][C:22]([NH:21][CH2:17][CH:18]([CH3:20])[CH3:19])=[O:23... | 1 |
[CH2:1]1[C:4]2([CH2:7][N:6]([C:8]3[N:13]=[C:12](C(O)=O)[CH:11]=[CH:10][CH:9]=3)[CH2:5]2)[CH2:3][O:2]1.CC[N:19]([CH2:22]C)CC.C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:31])C=CC=CC=1.[CH3:41][C:42]([OH:45])([CH3:44])[CH3:43]>>[CH2:3]1[C:4]2([CH2:5][N:6]([C:8]3[N:13]=[C:12]([NH:19][C:22](=[O:31])[O:45][C:42]([CH3:44])([CH3:43])[CH... | 2 |
NC=1C(=NC=C(C1)C1=C(N=NN1C)C)C1=NN(C(=C1I)C(=O)OC)C>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.C(=O)([O-])[O-].[Cs+].[Cs+]>CN1N=NC(=C1C=1C=C2C(... | 3 |
O1CCC(CC1)=O.C(CS)(=O)OCC>N(C)(C)C=O.ClCCl.CCN(CC)CC.P(=O)(Cl)(Cl)Cl.C(C)(=O)[O-].[K+]>S1C(=CC=2COCCC21)C(=O)OCC | 3 |
[CH:1]1([N:4]([CH2:38][CH2:39]O)[C:5]([C:7]2[C:12]([O:13][CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)=[C:11]([OH:21])[N:10]=[C:9]([CH2:22][C:23]3([C:28]4[C:37]5[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=5)[CH:31]=[CH:30][CH:29]=4)[CH2:27][CH2:26][CH2:25][CH2:24]3)[N:8]=2)=[O:6])[CH2:3][CH2:2]1.N(C(OC(C)C)=O)=NC(O... | 1 |
ClCC(C)=O.NC(C(C(=O)OCC)C)=S>>OC(C(=O)OCC)(C)C=1SC=C(N1)C | 5 |
ClC1=C(OCC(=O)O)C=CC(=C1Cl)C1=CC(CCC1CC)=O>S(O)(O)(=O)=O.CCO[H]>ClC1=C(OCC(=O)OCC)C=CC(=C1Cl)C1=CC(CCC1CC)=O | 3 |
CC(C)(C#C)O>CO[H].c1ccncc1.[O].Cl[Cu]>CC(C)(C#CC#CC(C)(O)C)O | 3 |
C(C1=CC=CC=C1)OC(CBr)=O.C(C1=CC=CC=C1)(=O)O[C@H]1C(O)O[C@@H]([C@H]1OC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O>C([O-])([O-])=O.[K+].[K+].[HH].COC(C)(C)C.[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)(=O)O[C@H]1C(OCC(=O)O)O[C@@H]([C@H]1OC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O | 3 |
[NH:1]1[C:5]2[CH:6]=[C:7]3[C:12](=[CH:13][C:4]=2[N:3]=[C:2]1[SH:14])[CH:11]=[CH:10][CH:9]=[CH:8]3.[OH-].[Na+].[CH3:17]I>C(O)C.O>[CH3:17][S:14][C:2]1[NH:3][C:4]2[CH:13]=[C:12]3[C:7](=[CH:6][C:5]=2[N:1]=1)[CH:8]=[CH:9][CH:10]=[CH:11]3 | 1 |
C(C)(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)OCC)NC(OCC1=CC=CC=C1)=O>>C(C)(C)(C)OC(=O)N1C[C@H]([C@@H](C1)NC(=O)OCC1=CC=CC=C1)C(=O)O | 5 |
C(C)C(CC)(C1=CC(=C(C=C1)B1OC(C(O1)(C)C)(C)C)C)C1=CC(=C(C=C1)C#CC1(CCOCC1)O)C>ClCCl.c1ccncc1.O(S(=O)(=O)C(F)(F)F)[Si](C)(C)C>C(C)C(CC)(C1=CC(=C(C=C1)B1OC(C(O1)(C)C)(C)C)C)C1=CC(=C(C=C1)C#CC1(CCOCC1)O[Si](C)(C)C)C | 3 |
FC=1C=CC=C2C(=C(NC12)C)CCN.ClC1=NC(=NC=2N1N=CC2C)C=2C=NC=C(C2)F>C(C)(C)O.C(C)(C)N(C(C)C)CC>FC=1C=CC=C2C(=C(NC12)C)CCNC1=NC(=NC=2N1N=CC2C)C=2C=NC=C(C2)F | 3 |
Cl[C:2]1[N:7]=[N:6][C:5]([CH2:8][OH:9])=[CH:4][CH:3]=1.[F:10][C:11]1[CH:16]=[C:15]([O:17][CH:18]2[CH2:23][CH2:22][O:21][CH2:20][CH2:19]2)[CH:14]=[C:13]([F:24])[C:12]=1B1OC(C)(C)C(C)(C)O1.[F-].[K+].P(C(C)(C)C)(C(C)(C)C)C(C)(C)C>C1COCC1.O.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... | 2 |
C(C1=CC=CC=C1)OC1=C(C=C2C(=CC=NC2=C1)Cl)OC.COC(CC=1C(=C(C=CC1[N+](=O)[O-])O)F)(C)OC>>C(C1=CC=CC=C1)OC1=C(C=C2C(=CC=NC2=C1)OC1=C(C(=C(C=C1)[N+](=O)[O-])CC(C)(OC)OC)F)OC | 5 |
[Cl:1][C:2]1[C:3]([C:25]([O:27]CC)=O)=[CH:4][C:5]([F:24])=[C:6]([CH:23]=1)[O:7][CH2:8][CH:9]1[CH2:13][O:12][C:11]([CH3:15])([CH3:14])[N:10]1[C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17].O.[NH2:31][NH2:32]>CCO>[Cl:1][C:2]1[C:3]([C:25]([NH:31][NH2:32])=[O:27])=[CH:4][C:5]([F:24])=[C:6]([CH:23]=1)[O:7][CH2:8][CH... | 2 |
C(CCC)=O.N=1C=CN2C1C=CC=C2SCCCCN2C(OCC2=O)=O>CCO[H].N1CCCCC1>C(CCC)=C1C(N(C(O1)=O)CCCCSC1=CC=CC=2N1C=CN2)=O | 3 |
[Br:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][NH:8]2)=[CH:4][CH:3]=1.Br[CH2:12][CH:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O.C(OCC)(=O)C>[Br:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][N:8]2[CH2:12][CH:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)=[CH:4][CH:3]=1 | 2 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[CH:11]=[C:12]3[C:16](=[CH:17][CH:18]=2)[NH:15][CH:14]=[C:13]3[C:19]2[CH2:24][CH2:23][N:22]([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH2:21][CH:20]=2)=[C:5]([N+:32]([O-])=O)[CH:4]=1)#[N:2].[CH2:35](OC=C(C#N)C#N)C.CC(C)=O>C(O)C.C(Cl)Cl>[C:1]([C:3]1[CH:8]=[CH:7]... | 1 |
[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH:12]([C:14]3[C:15](C)=[N:16]C(C)=C[CH:19]=3)[OH:13])[CH:10]=2)[N:5]=[C:4]([O:22][CH3:23])[C:3]=1[CH2:24][C:25]1[CH:30]=[CH:29][C:28]([C:31]([F:34])([F:33])[F:32])=[CH:27][CH:26]=1.[Li]CCCC.C(C1CN([C:46]([O:48][C:49]([CH3:52])([CH3:51])[CH3:50])=[O:47])C1)=O>C1COCC1>[C:49]... | 1 |
[C:1]([C:5]1[CH:9]=[C:8]([NH2:10])[O:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].C[Al](C)C.[CH3:15][C:16]1([S:22]([CH:25]2[CH2:30][CH2:29][O:28][CH2:27][CH2:26]2)(=[O:24])=[O:23])[CH2:20][CH2:19][O:18][C:17]1=[O:21]>C(Cl)Cl.C1(C)C=CC=CC=1>[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:17](=[O:21])[C:16]([CH3:15])([S:22]([CH:25]2[CH2:26][C... | 1 |
Cl.CON.Cl/C/1=C(/C(=O)OC1=O)\Cl>C(C)(=O)O.CC[O-].[Na+]>ClC=1C(N(C(C1Cl)=O)OC)=O | 3 |
FC1=C(C=C(C(=C1)F)F)NC1=NN=C(O1)C=1NC2=C(N1)C=CC(=C2)O[C@H]2CC[C@H](CC2)C(=O)OCC>>FC1=C(C=C(C(=C1)F)F)NC1=NN=C(O1)C=1NC2=C(N1)C=CC(=C2)O[C@H]2CC[C@H](CC2)C(=O)O | 5 |
BrCCCN1C(C=2C(C1=O)=CC=CC2)=O.OC1=C(C=C(C=C1)C=1C=CC2=C(NC3=C(NC2=O)C=C(C=C3)CCOC3=CC=C(C=C3)N3CCOCC3)C1)OC>[OH-].[K+]>COC1=C(OCCCN2C(C3=CC=CC=C3C2=O)=O)C=CC(=C1)C=1C=CC2=C(NC3=C(NC2=O)C=C(C=C3)CCOC3=CC=C(C=C3)N3CCOCC3)C1 | 3 |
N1C=CC(B(O)O)=N1.Br[C:10]1[CH:11]=[C:12]2[C:16](=[CH:17][CH:18]=1)[CH2:15][N:14]([C:19]([NH:21][C:22]1[CH:27]=[CH:26][C:25]([NH:28][C:29](=[O:36])[CH2:30][CH:31]3[CH2:35][CH2:34][CH2:33][CH2:32]3)=[CH:24][CH:23]=1)=[O:20])[CH2:13]2.BrC1C=C2C(=CC=1)CN(C(NC1C=C[C:53]([C:56](=O)[NH:57][CH2:58][CH2:59][CH3:60])=CC=1)=O)C2>... | 1 |
C1COCCN1.O1CCC2=C1C=CC(=C2)CC2=NN=C1N2N=C(C=C1)C1=CC=C(O1)C=O>>O1CCC2=C1C=CC(=C2)CC2=NN=C1N2N=C(C=C1)C=1OC(=CC1)CN1CCOCC1 | 5 |
C(C)(C)(C)CC(=O)Cl.CC1=NOC(=C1)N1C(=NC2=C1C=C(C=C2)C(F)(F)F)N>>CC(CC(=O)NC1=NC2=C(N1C1=CC(=NO1)C)C=C(C=C2)C(F)(F)F)(C)C | 5 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[CH2:12][N:11]([C:13]([C:15]3[CH:16]=[CH:17][C:18]([CH3:38])=[C:19]([C:21]4[NH:25][C:24]([CH:26]5[CH2:29][N:28](C(OC(C)(C)C)=O)[CH2:27]5)=[N:23][C:22]=4[CH3:37])[CH:20]=3)=[O:14])[CH2:10]2)=[CH:5][CH:4]=1)#[N:2].Cl>O1CCOCC1>[NH:28]1[CH2:29][CH:26]([C:24]2[NH:25][C:21]([C:19]3[CH:20... | 1 |
ClCCOCCO.ClC1=C(C(=O)NCCSCC2=CC(=CC=C2)O)C(=CC=C1)Cl>>ClC1=C(C(=O)NCCSCC2=CC(=CC=C2)OCCOCCO)C(=CC=C1)Cl | 5 |
Cl[C:2]1[N:7]=[C:6]([C:8]2[S:12][C:11]([NH:13][CH2:14][CH3:15])=[N:10][C:9]=2[C:16]2[CH:21]=[C:20]([O:22][CH3:23])[CH:19]=[C:18]([CH3:24])[CH:17]=2)[CH:5]=[CH:4][N:3]=1.[N:25]1([C:31]2[CH:36]=[CH:35][C:34]([NH2:37])=[CH:33][C:32]=2[C:38]([F:41])([F:40])[F:39])[CH2:30][CH2:29][O:28][CH2:27][CH2:26]1>C(O)C(F)(F)F>[CH2:14... | 2 |
Cl.[C:2]([CH2:4][CH2:5][CH2:6][CH:7]1[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]1)#[N:3].[Cl:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[CH:20]([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[Cl:28])Br.C(=O)([O-])[O-].[K+].[K+].C1(C)C=CC=CC=1>CC(C)=O.O>[Cl:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[CH:20]([C:22]1[CH... | 2 |
CN(C)[CH2:3][CH2:4][N:5]1[CH:9]=[C:8]([C:10]2[CH:29]=[CH:28][C:13]([NH:14][C:15]3[C:19]4[CH2:20][N:21]([C:24](=[O:26])[CH3:25])[CH2:22][CH2:23][C:18]=4[N:17]([CH3:27])[N:16]=3)=[CH:12][CH:11]=2)[CH:7]=[N:6]1.BrCC[OH:34]>>[OH:34][CH2:3][CH2:4][N:5]1[CH:9]=[C:8]([C:10]2[CH:11]=[CH:12][C:13]([NH:14][C:15]3[C:19]4[CH2:20][... | 2 |
BrC(CCC)C1=CC=C(C=C1)C(F)(F)F>>FC(C1=CC=C(C=C1)C(CCC)NN)(F)F | 5 |
CN1N=CC(=C1)C=O>>CN1N=CC(=C1)C(=O)O | 5 |
BrC=1C=CC(=NC1)C1CN(C1)C(=O)OC(C)(C)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1(OB(OC1(C)C)C=1C=CC(=NC1)C1CN(C1)C(=O)OC(C)(C)C)C | 3 |
C1CCCC12CCC(CC2)=NNC(NNOC(C)(C)C)=O>C1CCCO1.B>Cl.C1CCCC12CCC(CC2)NN | 3 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([Cl:12])[N:10]=2)[N:5]=[CH:4][C:3]=1[C:13](=[O:15])[CH3:14].[CH3:16][N:17]([CH3:28])[CH2:18][CH2:19][O:20][C:21]1[N:26]=[CH:25][C:24]([NH2:27])=[CH:23][CH:22]=1>>[Cl:12][C:9]1[N:10]=[C:11]2[C:6](=[CH:7][CH:8]=1)[N:5]=[CH:4][C:3]([C:13](=[O:15])[CH3:14])=[C:2]2[NH:27][C:24]1[CH:2... | 1 |
[OH:1][C:2]1[N:6]([CH:7](O)[CH3:8])[N:5]=[C:4]([CH3:10])[CH:3]=1.[OH:11][C:12]1[CH:19]=[CH:18][C:15]([CH:16]=O)=[CH:14][CH:13]=1.C(O)(=[O:22])C>CC(O)CC>[OH:11][C:12]1[CH:19]=[CH:18][C:15]([CH:16]=[C:3]2[C:4]([CH3:10])=[N:5][N:6]([CH2:7][CH2:8][OH:22])[C:2]2=[O:1])=[CH:14][CH:13]=1 | 1 |
[C:1]([C:3]1[CH:4]=[C:5]([CH:28]=[CH:29][C:30]=1[CH3:31])[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][N:16]2[CH2:20][CH2:19][C@@H:18]([N:21]([CH3:23])[CH3:22])[CH2:17]2)=[C:11]([C:24]([F:27])([F:26])[F:25])[CH:10]=1)=[O:7])#[CH:2].Br[C:33]1[CH:42]=[CH:41][CH:40]=[C:39]2[C:34]=1[CH:35]=[N:36][CH:37]=[N:38]2>>[N:38]1... | 2 |
CC(CC(C)=O)=O.BrC1=C(N(C=C1S(N)(=O)=O)C)C(=O)OC>[Cu]I.Cl.CS(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C(=O)C)C1=C(N(C=C1S(NC(C)=O)(=O)=O)C)C(=O)OC | 3 |
FC(C1=CC=C(C=2N1N=C(N2)N)C2=CC=C(C=C2)C(F)(F)F)(F)F>CC#N.[Cu](Br)Br.N(=O)OC(C)(C)C>BrC1=NN2C(C(=CC=C2C(F)(F)F)C2=CC=C(C=C2)C(F)(F)F)=N1 | 3 |
[CH3:1][O:2][C:3]([C:5]1[C:9]([CH3:10])=[CH:8][NH:7][CH:6]=1)=[O:4].P([O-])([O-])([O-])=O.[K+].[K+].[K+].NC1CCCCC1N.Br[C:28]1[N:33]=[CH:32][CH:31]=[CH:30][N:29]=1.CCCCCCCCCCCC>O1CCOCC1.O.[Cu]I>[CH3:1][O:2][C:3]([C:5]1[C:9]([CH3:10])=[CH:8][N:7]([C:28]2[N:33]=[CH:32][CH:31]=[CH:30][N:29]=2)[CH:6]=1)=[O:4] | 1 |
C1(=CC=CC=C1)S(=O)(=O)Cl.NC=1C=C(C(=O)NC2=CC(=CC=C2)COCCOCCCCCCN2C(O[C@@H](C2)C2=CC3=C(OC(OC3)(C)C)C=C2)=O)C=CC1>>CC1(OCC2=C(O1)C=CC(=C2)[C@@H]2CN(C(O2)=O)CCCCCCOCCOCC=2C=C(C=CC2)NC(C2=CC(=CC=C2)NS(=O)(=O)C2=CC=CC=C2)=O)C | 5 |
CC[Mg+].[Br-].C(C)(C)(C1=CC=CC=C1)C1=C(C=CC(=C1)OC)O>C1(=CC=CC=C1)C.C1CCCO1.CCN(CC)CC>C(C)(C)(C1=CC=CC=C1)C1=C(C(C=O)=CC(=C1)OC)O | 3 |
[H-].[Na+].[CH:3](=[N:10][N:11]1[CH2:17][C:15](=[O:16])[NH:14][C:12]1=[O:13])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.Br[CH2:19][CH2:20][CH2:21][CH2:22][Cl:23]>CN(C)C=O>[ClH:23].[ClH:23].[C:4]1([CH:3]=[N:10][N:11]2[CH2:17][C:15](=[O:16])[N:14]([CH2:19][CH2:20][CH2:21][CH2:22][Cl:23])[C:12]2=[O:13])[CH:5]=[CH:6][CH:7]=[... | 1 |
[C:1]([C:5]1[NH:6][C:7]([C:16]2[CH:21]=[CH:20][NH:19][C:18](=[O:22])[CH:17]=2)=[C:8]([C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)[N:9]=1)([CH3:4])([CH3:3])[CH3:2].CO>>[C:1]([C:5]1[NH:6][C:7]2[C:16]3[CH:21]=[CH:20][NH:19][C:18](=[O:22])[C:17]=3[C:15]3[C:10]([C:8]=2[N:9]=1)=[CH:11][N:12]=[CH:13][CH:14]=3)([CH3:4])([CH3... | 2 |
FC=1C=C(N)C=C(C1)F.ClC1=NC=2N(C(=C1)N(C(OCCCC)=O)C1CC1)N=CC2C=O>C(C)OCC.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C1(CC1)NC1=CC(=NC=2N1N=CC2C=O)NC2=CC(=CC(=C2)F)F | 3 |
C[C@@H]1CN(C(O1)=O)CC1=CC=C(C(=O)OC)C=C1>>OCC1=CC=C(CN2C(O[C@@H](C2)C)=O)C=C1 | 5 |
[N+](=[N-])=CC(=O)OCC.C(C1=CC=CC=C1)O[C@H]1[C@@H](OC([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)=C)C1=CC(=C(C=C1)Cl)CC1=CC=C(C=C1)OCC>ClCCl.C(C)(=O)[O-].[Rh+3].C(C)(=O)[O-].C(C)(=O)[O-]>C(C)OC(=O)C1CC12O[C@H]([C@@H]([C@H]([C@@H]2OCC2=CC=CC=C2)OCC2=CC=CC=C2)OCC2=CC=CC=C2)C2=CC(=C(C=C2)Cl)CC2=CC=C(C=C2)OCC | 3 |
C(C)NC(=O)C1CC(C1)(O)C1=CC(=C(C=C1)CN1CCCC1)F>C(=O)(C(F)(F)F)O.[HH].ClCCCl>C(C)NC(=O)C1CC(C1)C1=CC(=C(C=C1)CN1CCCC1)F | 3 |
CC(C)(OC(=O)N[C@@H]([C@@H](OS(=O)(=O)C1=CC=C(C=C1)C)C)C(=O)OC)C.C(C1=CC=CC=C1)(=S)[O-].[K+]>>C(C1=CC=CC=C1)(=O)S[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)OC)C | 3 |
[NH2:1][C:2]1[N:14]=[C:13]([C:15]2[C:20]([O:21][CH2:22][C:23]3[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=3)=[CH:19][CH:18]=[CH:17][C:16]=2[O:31][CH2:32][CH:33]2[CH2:35][CH2:34]2)[CH:12]=[C:11]([S:36][CH3:37])[C:3]=1[C:4]([O:6][C:7]([CH3:10])([CH3:9])[CH3:8])=[O:5].C1C=C(Cl)C=C(C(OO)=[O:46])C=1>C(Cl)Cl>[NH2:1]... | 1 |
[CH2:1]([N:4]([CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:5](=[O:13])[C:6]1[C:11](Br)=[CH:10][CH:9]=[CH:8][N:7]=1)[CH:2]=[CH2:3].C(N(CC)CC)C.CN(C=O)C>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.CCOC(C)=O>[CH2:14]([N:4]1[C:5](=[O:13])[C:6]2[N:7]=[CH:8][CH:9]=[CH:10][C:11]=2[C:2]([CH3:3])=[CH:1]1)[C:15]1[CH:20]=[CH:19... | 2 |
[CH2:1]([O:3][C:4]([CH:6]1[CH2:18][C:17]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([F:19])[CH:15]=3)[NH:10][C:9]=2[CH2:8][NH:7]1)=[O:5])[CH3:2].[S]>C1(C)C(C)=CC=CC=1>[CH2:1]([O:3][C:4]([C:6]1[N:7]=[CH:8][C:9]2[NH:10][C:11]3[C:16]([C:17]=2[CH:18]=1)=[CH:15][C:14]([F:19])=[CH:13][CH:12]=3)=[O:5])[CH3:2] | 1 |
[CH2:1]([NH:8][C:9](=[O:31])[N:10]([C:12]1[CH:13]=[C:14]([C:18]2[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])=[CH:20][C:19]=2[OH:30])[CH:15]=[CH:16][CH:17]=1)[CH3:11])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].Br[CH2:33][CH2:34][O:35][CH3:36].C(=O)([O-])[O-].[K+].[K+].[I-].[Na+]>C(C(C)=O)C>[CH2:1... | 1 |
FC(F)(F)C(O)=O.[CH2:8]([N:10]1[CH2:15][CH2:14][NH:13][CH2:12][C:11]1=[O:16])[CH3:9].C1COCC1.C(N(CC)CC)C.Cl[C:30]1[N:35]=[C:34]([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)[N:33]=[C:32]([C:42]([NH:44][C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][C:46]=2[C:51]2[S:52][C:53]([CH:56]3[CH2:61][CH2:60][O:59][CH2:58][CH2:57]3)=[N:5... | 2 |
[CH3:1][N:2]1[C@@H:19]2[CH2:20][C:7]3[CH:8]=[CH:9][C:10]([O:21][CH3:22])=[C:11]4[O:12][C@H:13]5[C:14]([CH:16]=[CH:17][C@@H:18]2[C@:5]5([C:6]=34)[CH2:4][CH2:3]1)=[O:15].CO.[CH:25](OC)(OC)OC.CS(O)(=O)=O>C1(C)C=CC=CC=1>[CH3:1][N:2]1[C@@H:19]2[CH2:20][C:7]3[CH:8]=[CH:9][C:10]([O:21][CH3:22])=[C:11]4[O:12][C@H:13]5[C:14]([O... | 1 |
CC1=C(C(=O)OCCCCO)C(=CC=C1)C>CC(=O)C.CC(=O)C.OS(=O)(=O)O.O=[Cr](=O)=O>CC1=C(C(=O)OCCCC(=O)O)C(=CC=C1)C | 3 |
C12(CC3CC(CC(C1)C3)C2)C(CNC=2C3=C(N=CN2)CNCC3)O.O[C@H]1CCN(C1)CC(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>C12(CC3CC(CC(C1)C3)C2)C(CNC=2C3=C(N=CN2)CN(CC3)C(CN3C(C[C@@H](C3)O)=O)=O)O | 3 |
Cl.[N:2]1([CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:20]=[CH:19][C:15]([C:16]([Cl:18])=[O:17])=[CH:14][CH:13]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.[C:21]([C:23]1[CH:32]=[C:31]2[C:26]([CH2:27][CH2:28][NH:29][CH2:30]2)=[CH:25][CH:24]=1)#[N:22].CCN(CC1C=CC=CC=1)CC.C=CC1C=CC=CC=1.C=CC1C=CC(C=C)=CC=1>C(Cl)Cl>[ClH:18].[N:2]1([... | 1 |
B(Br)(Br)Br.C[O:6][C:7]1[CH:27]=[CH:26][C:10]([CH2:11][N:12]2[C:16]3[CH:17]=[CH:18][C:19]4[N:20]([C:21]([CH3:24])=[N:22][N:23]=4)[C:15]=3[CH:14]=[C:13]2[CH3:25])=[CH:9][CH:8]=1>C(Cl)Cl>[CH3:24][C:21]1[N:20]2[C:15]3[CH:14]=[C:13]([CH3:25])[N:12]([CH2:11][C:10]4[CH:26]=[CH:27][C:7]([OH:6])=[CH:8][CH:9]=4)[C:16]=3[CH:17]=... | 1 |
C[Si](C1=NNC=C1C=1C=CC2=C(N(C3=C(S2)N=CC=N3)COC)C1)(C)C>>N1N=CC(=C1)C=1C=CC2=C(N(C3=C(S2)N=CC=N3)COC)C1 | 5 |
[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([C:6]([C:8]2[CH:9]=[C:10]3[C:15](=[CH:16][CH:17]=2)[N:14]([CH3:18])[C:13](=[O:19])[CH:12]=[C:11]3[C:20]2[CH:25]=[CH:24][CH:23]=[C:22](I)[CH:21]=2)=[O:7])=[CH:4][CH:3]=1.[CH2:29]([Sn](CCCC)(CCCC)C=C)[CH2:30]CC>C1(C)C=CC=CC=1.C1C=CC(C#N)=CC=1.C1C=CC(C#N)=CC=1.Cl[Pd]Cl.C1C=CC(P(C2C=CC=CC=2... | 1 |
C(C)C=1C=C2C=C(NC2=CC1)C(=O)OC>CCO[H].[OH-].[K+]>C(C)C=1C=C2C=C(NC2=CC1)C(=O)O | 3 |
[C:1]12([OH:13])[CH2:10][C:5]3([OH:11])[CH2:6][CH:7]([CH2:9][C:3]([OH:12])([CH2:4]3)[CH2:2]1)[CH2:8]2.[C:14](O)(=[O:18])[C:15]([CH3:17])=[CH2:16].S(=O)(=O)(O)O.COC1C=CC(O)=CC=1.O=O.[OH-].[Na+]>C1(C)C=CC=CC=1.O>[C:14]([O:13][C:1]12[CH2:10][C:5]3([OH:11])[CH2:6][CH:7]([CH2:9][C:3]([OH:12])([CH2:4]3)[CH2:2]1)[CH2:8]2)(=[O... | 1 |
CC=1SC=C(N1)Br.C(C)OC(=O)N1CCN(CC1)C1=C2C(=NC=C1)N(C(=C2)B(O)O)COCC[Si](C)(C)C>O.CCN(CC)CC.O1CCOCC1.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]>CC=1SC=C(N1)C1=CC=2C(=NC=CC2N2CCN(CC2)C(=O)OC(C)(C)C)N1COCC[Si](C)(C)C | 3 |
ClC1=NC(=NC=C1)NCC1=CC(=NO1)C.NC1=CC(=NN1)CCC1=CC(=CC(=N1)C(=O)NC)OC>>COC1=CC(=NC(=C1)CCC1=NNC(=C1)NC1=NC(=NC=C1)NCC1=CC(=NO1)C)C(=O)NC | 5 |
C(C(C)(C)C)O.BrC1=C(C=CC=C1)I>[Cu]I.C(=O)([O-])[O-].[Cs+].[Cs+].N1=CC=CC2=CC=C3C=CC=NC3=C12>BrC1=C(C=CC=C1)OCC(C)(C)C | 3 |
[SH:1][CH2:2][CH2:3][CH:4]([OH:6])[CH3:5].[CH:7](=O)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].C1(C)C=CC(S(O)(=O)=O)=CC=1.C(=O)(O)[O-].[Na+]>ClCCl>[CH2:8]([CH:7]1[S:1][CH2:2][CH2:3][CH:4]([CH3:5])[O:6]1)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16] | 1 |
C(N)(=N)C1C(CC1)C(=O)O.CN(\C=C(/C=O)\C)C>CO[H].C[O-].[Na+]>CC=1C=NC(=NC1)C1C(CC1)C(=O)O | 3 |
Cl[C:2]([O:4][C:5]1[CH:10]=[CH:9][C:8]([N+:11]([O-:13])=[O:12])=[CH:7][CH:6]=1)=[O:3].[CH2:14]([O:21][P:22]([O:32][CH2:33][CH2:34][OH:35])([O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[O:23])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C(N(CC)CC)C>ClCCl>[C:2](=[O:3])([O:4][C:5]1[CH:6]=[CH:7][C:8]([N+... | 1 |
Cl.NC(C(=O)O)CC1=CC=C(C=C1)I>>NC(CO)CC1=CC=C(C=C1)I | 5 |
Br[C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([O:12][C:13]2[CH:18]=[N:17][C:16]([N:19]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:20][CH:21]3[CH2:23][CH2:22]3)=[CH:15][N:14]=2)[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6].[C:31](=O)([O-])[O-].[K+].[K+].CB1OB(C)OB(C)O1.O>O1CCOCC1>[C:27]([O:26][C:24]([N:19]([CH2:20][CH:21]1... | 2 |
Br[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[N:8]([CH3:24])[CH:9]=[C:10]([CH:11]=[C:12]3[C:16](=[O:17])[C:15]4[C:18]([OH:23])=[CH:19][C:20]([OH:22])=[CH:21][C:14]=4[O:13]3)[C:3]=12.[CH3:25][O:26][C:27]1[CH:32]=[CH:31][C:30](B2OC(C)(C)C(C)(C)O2)=[CH:29][CH:28]=1.COCCOC>C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Pd].C(=O)([O-])[O-].[N... | 2 |
C([Si](C)(C)[O:6][C:7]([C:16]1[CH:21]=[CH:20][C:19]([CH2:22][S:23]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)(=[O:25])=[O:24])=[CH:18][CH:17]=1)([C:12]([F:15])([F:14])[F:13])[C:8]([F:11])([F:10])[F:9])(C)(C)C.[Li][CH2:35][CH2:36][CH2:37]C.CN1C(=O)N(C)CCC1.C(Br)C=C>C1COCC1>[F:15][C:12]([F:14])([F:13])[C:7]([C:16]1[... | 1 |
[CH3:1][O:2][C:3](=[O:32])[C:4]1[CH:9]=[C:8]([CH2:10][N:11]2[CH:15]=[N:14][CH:13]=[N:12]2)[CH:7]=[C:6]([NH:16][S:17]([C:20]2[CH:25]=[CH:24][C:23]([O:26]S(=O)(=O)N)=[C:22]([F:31])[CH:21]=2)(=[O:19])=[O:18])[CH:5]=1.S(Cl)(=O)(=O)N.C1(C)C=CC=CC=1.CCOC(C)=O>CC(N(C)C)=O.O>[CH3:1][O:2][C:3](=[O:32])[C:4]1[CH:9]=[C:8]([CH2:10... | 1 |
O=C1CC(C1)C=1NN=C2NC(CC(C21)C2=CC=CC=C2)=O>>OC1CC(C1)C=1NN=C2NC(CC(C21)C2=CC=CC=C2)=O | 5 |
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