smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][C:2]1[C:10]([NH:11][C:12]([C:14]2[C:15]([C:20]3[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][CH:21]=3)=[CH:16][CH:17]=[CH:18][CH:19]=2)=[O:13])=[C:9]([CH3:30])[CH:8]=[C:7]2[C:3]=1[CH2:4][CH2:5][NH:6]2.[CH:31]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][N:34]=1)=[CH2:32].CS(O)(=O)=O>COCCO>[CH3:1][C:2]1[C... | 2 |
[CH2:1]([N:3]1[C:7]([C:8]([OH:10])=[O:9])=[CH:6][CH:5]=[N:4]1)[CH3:2].S(=O)(=O)(O)O.[CH2:16](O)[CH3:17]>>[CH2:1]([N:3]1[C:7]([C:8]([O:10][CH2:16][CH3:17])=[O:9])=[CH:6][CH:5]=[N:4]1)[CH3:2] | 1 |
CC=1N=CNC1.ClC1=CC(=CC(=N1)C(=O)OCC)C(F)(F)F>CO[H].[OH-].[Na+].C([O-])([O-])=O.[K+].[K+].COCCOC>CC=1N=CN(C1)C1=CC(=CC(=N1)C(=O)O)C(F)(F)F | 3 |
C1(O[C:8](=[O:23])[NH:9][C:10]2[CH:11]=[C:12]3[C:16](=[CH:17][CH:18]=2)[CH2:15][C:14]2([O:22][CH2:21][CH2:20][O:19]2)[CH2:13]3)C=CC=CC=1.[OH2:24].[NH2:25][NH2:26].[O:27]1[CH2:32][CH2:31]OCC1>>[CH2:15]1[C:16]2[C:12](=[CH:11][C:10]([N:9]3[C:8]([OH:23])=[N:26][N:25]=[C:16]3[C:12]3[CH:11]=[C:31]([CH:18]([CH3:17])[CH3:10])[... | 1 |
Cl.NCC(=O)N1CSC[C@H]1C#N.C(C)(C)C1CN(C1)C=1C=C2C(=CC=NC2=CC1)C(=O)O>CC#N.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.C(O)([O-])=O.[Na+].CCN=C=NCCCN(C)C>C(#N)[C@H]1N(CSC1)C(CNC(=O)C1=CC=NC2=CC=C(C=C12)N1CC(C1)C(C)C)=O | 3 |
[CH2:1]([O:3][C:4](=[O:27])[CH2:5][C:6]1([C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24](=[O:26])[CH3:25])=[CH:19][CH:18]=2)[C:14](=[O:15])[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[C:7]1=[O:16])[CH3:2].[BH4-].[Na+].C(O)(=O)C>C(O)C>[CH2:1]([O:3][C:4](=[O:27])[CH2:5][C:6]1([C:17]2[CH:18]=[CH:19][C:20]([NH:23][C:24](=[O:26... | 1 |
COC1=C(C=O)C=CC(=C1)OC>>IC=1C(=CC(=C(C=O)C1)OC)OC | 5 |
[NH2:1][C:2]1[N:6]([CH2:7][CH2:8][Cl:9])[N:5]=[CH:4][C:3]=1[C:10]#[N:11].[OH:12]S(O)(=O)=O.[NH4+].[OH-]>>[NH2:1][C:2]1[N:6]([CH2:7][CH2:8][Cl:9])[N:5]=[CH:4][C:3]=1[C:10]([NH2:11])=[O:12] | 2 |
N1CC(CC1)C(=O)OC>CC#N.C(O)([O-])=O.[Na+]>CN(C(CN1CC(CC1)C(=O)OC)=O)C | 3 |
C1(=CC=CC=C1)N1N=NC=2C=NC=CC21>CO[H].[HH].[Pd]>C1(=CC=CC=C1)N1N=NC=2CNCCC21 | 3 |
CS(=O)(=O)Cl.O[C@@H]1C(NCC1)=O>ClCCl.CCN(CC)CC>O=C1NCC[C@@H]1OS(=O)(=O)C | 3 |
C(O[C:4]([C:6]1[C:7](=[O:22])[S:8][C:9]2[C:14]([C:15]=1[OH:16])=[CH:13][CH:12]=[C:11]([O:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH:10]=2)=[O:5])C.[NH2:23][CH2:24][C:25]([O-:27])=[O:26].[Na+]>COCCO>[CH2:18]([O:17][C:11]1[CH:10]=[C:9]2[C:14]([C:15]([OH:16])=[C:6]([C:4]([NH:23][CH2:24][C:25]([OH:27])=[O:26])=[O:5])[C:7](=[O... | 1 |
NC=1C(=NC(=C(C(=O)NC2=CC=C(C=C2)Br)C1)OCC(F)F)NC.ClC1=C(C=C(CNC(C(C)(C)C)=O)C=C1)N=C=S>CC#N>ClC1=C(C=C(CNC(C(C)(C)C)=O)C=C1)NC(=S)NC1(NC(=CC=C1C(NC1=CC=C(C=C1)Br)=O)NC)OCC(F)F | 3 |
[OH:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([O:10][C:11]3[CH:16]=[CH:15][C:14](/[CH:17]=[CH:18]/[C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])=[CH:13][CH:12]=3)=[C:8]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[CH:32]([CH3:34])[CH3:33])[S:7][C:6]=2[CH:35]=1.Cl[CH2:37][N:38]1[C:42](=[O:43])[C:41]2[CH:44]=[CH:45][CH... | 1 |
ClC1=CC=NC=2NC3=CC=C(C=C3C21)NC=O>>ClC1=CC=NC=2NC3=CC=C(C=C3C21)NC | 5 |
FC(C=1N=CC=2N(C1)C(=CN2)C2=NC=CC(=N2)N2CCC(CCC2)N)F>ClCCl.CS(=O)(=O)Cl.C(C)(C)N(C(C)C)CC>FC(C=1N=CC=2N(C1)C(=CN2)C2=NC=CC(=N2)N2CCC(CCC2)NS(=O)(=O)C)(F)F | 3 |
[Li+].CC([N-]C(C)C)C.[CH2:9]([O:11][C:12](=[O:23])[CH:13]([O:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[F:22])[CH3:14])C.I[CH2:25][C:26]1[CH:31]=[CH:30][C:29]([O:32]S(C2C=CC(C)=CC=2)(=O)=O)=[CH:28][CH:27]=1.[OH-].[Na+]>C1COCC1.CO>[CH3:9][O:11][C:12](=[O:23])[C:13]([O:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]... | 1 |
ClC1=CC=C(C=C1)C=1C=C2C(=NC1)NC=C2C(=O)C=2C(=C(C=CC2F)NS(=O)(=O)CCC)F.C(OCCl)(OC1=CC=CC=C1)=O>N(C)(C)C=O.CCN(CC)CC.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(OCN1C=C(C=2C1=NC=C(C2)C2=CC=C(C=C2)Cl)C(C2=C(C(=CC=C2F)NS(=O)(=O)CCC)F)=O)(OC2=CC=CC=C2)=O | 3 |
Cl.[N:2]12[CH2:9][CH2:8][CH:5]([CH2:6][CH2:7]1)[C:4](=[O:10])[CH2:3]2.CC(C)([O-])C.[K+].CC(O)C>CC(O)C>[N:2]12[CH2:9][CH2:8][CH:5]([CH2:6][CH2:7]1)[C@@H:4]([OH:10])[CH2:3]2 | 1 |
[Br:1][C:2]1[CH:6]=[N:5][N:4]([CH3:7])[C:3]=1[NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11](I)[CH:10]=1.[F:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1B(O)O.C(=O)([O-])[O-].[Cs+].[Cs+].COCCOC>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2... | 2 |
IC1=CC=C(C=C1)OC.CC1=CC=C(S1)C=1C=CC=2NC3=CC=C(C=C3C2C1)C=1SC(=CC1)C>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].[Cu]>CC1=CC=C(S1)C=1C=CC=2N(C3=CC=C(C=C3C2C1)C=1SC(=CC1)C)C1=CC=C(C=C1)OC | 3 |
[OH:1][C@@H:2]1[C@H:6]([OH:7])[C@@H:5]([CH2:8][OH:9])[O:4][C@H:3]1[N:10]1[CH:18]=[N:17][C:16]2[C:11]1=[N:12][C:13]([C:34](OC)=[O:35])=[N:14][C:15]=2[NH:19][CH2:20][CH:21]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.[NH2:38][CH2:39][CH2:40][C:41]1[CH:46]=[CH:45][CH:44]=[... | 2 |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:8]=[C:7]([CH2:9]O)[CH:6]=[CH:5][N:4]=1.P(Br)(Br)[Br:14].C(=O)(O)[O-].[Na+]>ClCCl>[Br:14][CH2:9][C:7]1[CH:6]=[CH:5][N:4]=[C:3]([C:2]([F:12])([F:11])[F:1])[CH:8]=1 | 2 |
ICCC.FC1=CC(=C(C=C1)O)[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC1=CC(=C(C=C1)OCCC)[N+](=O)[O-] | 3 |
O1N=C(C2=C1C=CC=C2)C2=C(C=CC=C2)C(C(=O)OCC)(CC=C)C>>O1N=C(C2=C1C=CC=C2)C2=C(C=CC=C2)C(C(=O)O)(CC=C)C | 5 |
C([NH:4][C@H:5]([C:10]([OH:12])=[O:11])[C:6]([CH3:9])([CH3:8])[CH3:7])(=O)C.C1C=C2C(C(O)(O)C(=O)C2=CC=1)=O>>[NH2:4][C@H:5]([C:10]([OH:12])=[O:11])[C:6]([CH3:9])([CH3:8])[CH3:7] | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([O:9][CH3:10])=[CH:4][C:3]=1[N:11]1[CH2:16][CH2:15][C:14]([CH2:18][C:19](OCC)=[O:20])([OH:17])[CH2:13][CH2:12]1.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([O:9][CH3:10])=[CH:4][C:3]=1[N:11]1[CH2:16][CH2:15][C:14]([CH2:18][CH2:19][OH:20])([OH:17])... | 1 |
[CH3:1][O:2][C:3]([C:5]1[CH:14]=[C:13](Cl)[C:12]2[C:7](=[CH:8][C:9]([Cl:16])=[CH:10][CH:11]=2)[N:6]=1)=[O:4].[C:17]([N:24]1[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]1)([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18]>C(N(C(C)C)CC)(C)C>[CH3:1][O:2][C:3]([C:5]1[CH:14]=[C:13]([N:27]2[CH2:26][CH2:25][N:24]([C:17]([O:19][C:20]... | 1 |
[N+:1]([C:4]1[CH:12]=[C:11]2[C:7]([CH:8]=[CH:9][NH:10]2)=[CH:6][CH:5]=1)([O-])=O.[CH2:13](Br)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>CC#N>[CH2:13]([N:10]1[C:11]2[C:7](=[CH:6][CH:5]=[C:4]([NH2:1])[CH:12]=2)[CH:8]=[CH:9]1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
Cl[C:2]1[C:7]([CH:8]=[O:9])=[C:6]([Cl:10])[N:5]=[CH:4][N:3]=1.[F:11][C:12]([F:22])([F:21])[O:13][C:14]1[CH:20]=[CH:19][C:17]([NH2:18])=[CH:16][CH:15]=1.C(OCC)(=O)C>C1COCC1>[Cl:10][C:6]1[C:7]([CH:8]=[O:9])=[C:2]([NH:18][C:17]2[CH:19]=[CH:20][C:14]([O:13][C:12]([F:11])([F:21])[F:22])=[CH:15][CH:16]=2)[N:3]=[CH:4][N:5]=1 | 1 |
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[CH:5][N:6]2[CH2:11][CH2:12][CH3:13].C1COCC1.C([Li])(CC)C.Cl[Si:25]([CH3:28])([CH3:27])[CH3:26]>O>[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([Si:25]([CH3:28])([CH3:27])[CH3:26])[N:6]2[CH2:11][CH2:12][CH3:13] | 2 |
C(C)(C)(C)[Si](C)(C)Cl.BrC=1C=C2C=C(N(C2=CC1OCC(=C)C)C)CO>>BrC=1C=C2C=C(N(C2=CC1OCC(=C)C)C)CO[Si](C)(C)C(C)(C)C | 5 |
C[C:2]1C=C(C)C=C[C:3]=1[N:9]=[C:10]=S.[CH3:12][C:13]1[C:18]([CH3:19])=[CH:17][CH:16]=[CH:15][C:14]=1[N:20]=[C:21]=[S:22]>>[CH3:12][C:13]1[C:18]([CH3:19])=[CH:17][CH:16]=[CH:15][C:14]=1[N:20]=[C:21]1[N:9]([CH3:10])[CH:3]=[CH:2][S:22]1 | 1 |
BrBr.[CH3:3][O:4][C:5]([N:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH2:8]1)=[O:6].[NH2:13][C:14]([NH2:16])=[O:15].CC#N>CN(C=O)C>[CH3:3][O:4][C:5]([N:7]1[CH2:8][CH:9]=[CH:10][C@H:11]2[O:15][C:14]([NH2:16])=[N:13][C@@H:12]12)=[O:6] | 1 |
CS(=O)(=O)Cl.NC=1C(=NC=CC1)C(=O)NC[C@@H]1CN(CCO[C@H]1C1=CC(=C(C=C1)Cl)F)C(=O)OC(C)(C)C>>ClC1=C(C=C(C=C1)[C@H]1[C@@H](CN(CCO1)C(=O)OC(C)(C)C)CNC(=O)C1=NC=CC=C1NS(=O)(=O)C)F | 5 |
C(C)(C)OB1OC(C(O1)(C)C)(C)C.C(C)N1N=C(C=C1)C>O.C1CCCO1.C(CCC)[Li]>C(C)N1N=C(C=C1B1OC(C(O1)(C)C)(C)C)C | 3 |
C(=C)[Sn](CCCC)(CCCC)CCCC.BrC1=C2C=NN(C2=C(C=C1)Cl)C>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1C=CC(=C2C=NN(C12)C)C=C | 3 |
Cl[C:2]1[C:3]2[C:10]([Br:11])=[CH:9][N:8]([CH2:12][O:13][CH2:14][CH2:15][OH:16])[C:4]=2[N:5]=[CH:6][N:7]=1.[NH3:17].N>CO>[NH2:17][C:2]1[C:3]2[C:10]([Br:11])=[CH:9][N:8]([CH2:12][O:13][CH2:14][CH2:15][OH:16])[C:4]=2[N:5]=[CH:6][N:7]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([CH:11]2[CH2:16][N:15]([C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[C:19]([Cl:24])[CH:18]=3)[CH2:14][CH2:13][N:12]2[CH2:25][CH3:26])=[O:10])=[CH:4][CH:3]=1.[OH-].[NH4+:28].[CH2:29]=O.[CH:31]([CH:33]=O)=O>>[Cl:24][C:19]1[CH:18]=[C:17]([N:15]2[CH2:14][CH2:13][N:12]([CH2:25][CH3:26])[... | 1 |
ClC1=C(NC(=C1Cl)C)C(=O)N[C@@H]1[C@@H](CN(CC1)C=1SC(=C(N1)C(=O)O)C(=O)OCC)OC>CCN(CC)CC.CNC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(NC(=C1Cl)C)C(=O)N[C@@H]1[C@@H](CN(CC1)C=1SC(=C(N1)C(=O)N(C)C)C(=O)OCC)OC | 3 |
COC(C)(C)OC.[N+](=O)([O-])C1=CC=C(C=C1)C(CO)O>C(C)(=O)OCC.CC(=O)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1(OCC(O1)C1=CC=C(C=C1)[N+](=O)[O-])C | 3 |
C(=S)(Cl)Cl.NO.C1=CC=CCCC1>O.ClCCl.C1CCCCC1>C12SC(CC(=CC1)CC2)=NO | 3 |
C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[N:11]1([C:22]([O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[O:23])[CH2:16][CH2:15][CH:14]([C:17]([O:19][CH2:20][CH3:21])=[O:18])[CH2:13][CH2:12]1.IC.[C:34](=O)([O-])O.[Na+]>C1COCC1>[CH3:34][C:14]1([C:17]([O:19][CH2:20][CH3:21])=[O:18])[CH2:13][CH2:12][N:11]([C:22]([O:2... | 2 |
CC1C=CC(S(OCC(O)[CH2:14][C:15]2[CH:24]=[C:23]([Cl:25])[C:22]3[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=3)[C:16]=2[O:26][CH2:27][C:28]2C=CC=CC=2)(=O)=O)=CC=1.Cl.[Si](OCC(O)CC1C=CC2CCCC=2C=1O)(C(C)(C)C)(C)C.CC1C=CC(S(OCC(O)CC2C=C(Cl)C3C(=CC=CC=3)C=2O)(=O)=O)=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)... | 2 |
C(C)(C)OC(=O)C1=NC=CC=C1CN(S(=O)(=O)C1=CC=C(C=C1)C)CC(=O)OC>>OC=1C(=NC=C2C=CC=NC12)C(=O)OC | 5 |
COCCN.O(C1=CC=CC=C1)C1=CC=C(C=O)C=C1>CCO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>COCC1=C(CN)C=CC(=C1)OC1=CC=CC=C1 | 3 |
[I-].NC=1C(=NC(=C(N1)C1=CC=CC=C1)C1=NN(C(C=C1)=O)C(C)C)C1=CC=[N+](C=C1)C>>NC=1N=C(C(=NC1C=1CCN(CC1)C)C=1C=CC(N(N1)C(C)C)=O)C1=CC=CC=C1 | 5 |
[H-].[K+].Br[C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[NH:9][CH:8]=[CH:7]2.C([Li])(C)(C)C.N1C2C(=CC=CC=2)C=C1.CON(C)[C:30]([CH:32]([NH:41][C:42]([CH:44]([NH:49][C:50](=[O:59])[O:51][CH2:52][C:53]1[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=1)[CH2:45][CH:46]([CH3:48])[CH3:47])=[O:43])[CH2:33][CH2:34][C:35]1[CH:40]=[CH:39][C... | 1 |
O=C1NC(CCC1OC1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)=O>Cl.O1CCOCC1>Cl.N1(CCNCC1)C1=CC=C(OC2C(NC(CC2)=O)=O)C=C1 | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[NH:9][C:8]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:7]2)([O-])=O.[H][H]>C(OCC)(=O)C.[C].[Pd]>[NH2:1][C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[NH:9][C:8]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:7]2 | 2 |
[Si:1]([O:8][CH:9]([CH:23]([CH3:25])[CH3:24])[C:10](=[O:22])[CH2:11][C:12]([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].CO[CH:28](OC)[N:29]([CH3:31])[CH3:30]>C1(C)C=CC=CC=1>[Si:1]([O:8][CH:9]([CH:23]([CH3:25])[CH3:24])[C:10](=[O:22])/[C:11](=[CH:2... | 1 |
[NH2:1][C:2]1[C:11]([F:12])=[C:10](F)[C:9]2[O:14][CH2:15][C:16]3([CH2:20][CH2:19][CH2:18][CH2:17]3)[N:7]3[C:8]=2[C:3]=1[C:4](=[O:24])[C:5]([C:21]([OH:23])=[O:22])=[CH:6]3.[N:25]1([CH2:30][CH2:31][CH2:32][NH2:33])[CH:29]=[N:28][CH:27]=[N:26]1.C(N(CC)CC)C>CS(C)=O>[N:25]1([CH2:30][CH2:31][CH2:32][NH:33][C:10]2[C:9]3[O:14]... | 1 |
Br[C:2]1[CH:3]=[C:4]([N:8]2[C:16]3[CH:15]=[CH:14][C:13]([CH3:17])=[CH:12][C:11]=3[C:10]3[CH2:18][N:19]([CH3:22])[CH2:20][CH2:21][C:9]2=3)[CH:5]=[CH:6][CH:7]=1.Cl.[NH:24]1[C:32]2[CH:31]=[CH:30][CH:29]=[C:28](B(O)O)[C:27]=2[CH:26]=[N:25]1.C([O-])([O-])=O.[K+].[K+].O>COCCOC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C... | 1 |
OC1=C(C=CC=C1)C1=NC2=CC=C(C=C2C(=N1)N[C@@H]1CN(CC1)C(=O)OC(C)(C)C)C#CCO>CO[H].[HH].[Pd]>OCC#CC=1C=C2C(=NC(=NC2=CC1)C1=C(C=CC=C1)O)N[C@@H]1CNCC1 | 3 |
[Cl-].C[N+](C)=C.COC1=C(C=C2C(CCC2)=O)C=CC(=C1)OC>CC#N>Cl.COC1=C(C=C2C(C(CC2)CN(C)C)=O)C=CC(=C1)OC | 3 |
CN(C)CC1(CCOCC1)C1=CC=C(C=C1)O.C(C)(C)N1CCC(CC1)OS(=O)(=O)C>N(C)(C)C=O.[H-].[Na+]>C(C)(C)N1CCC(CC1)OC1=CC=C(C=C1)C1(CCOCC1)CN(C)C | 3 |
CON(C)[C:4]([C:6]1[N:7]=[CH:8][N:9]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]3[C:18]([Cl:23])=[N:19][CH:20]=[CH:21][CH:22]=3)[CH:12]=2)[CH:10]=1)=[O:5].[CH3:25][C:26]1[S:30][CH:29]=[N:28][CH:27]=1>>[Cl:23][C:18]1[C:17]([C:13]2[CH:12]=[C:11]([N:9]3[CH:10]=[C:6]([C:4]([C:29]4[S:30][C:26]([CH3:25])=[CH:27][N:28]=4)=[O:5... | 1 |
O[CH:2]([C:23]1[CH:28]=[CH:27]N=CC=1)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:16](=[O:17])[C:15]2=[CH:18][CH:19]=[CH:20][CH:21]=[C:14]2[C:13]1=[O:22].[C:29]1(=[O:39])[NH:33][C:32](=[O:34])[C:31]2=[CH:35][CH:36]=[CH:37][CH:38]=[C:30]12.C1(P([C:53]2[CH:58]=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[... | 1 |
C1(=CC=C(C=C1)C(=O)Cl)C.C(C)(C)(C)OC(NCCCNC(C1CC1)C1=NC2=CC(=CC=C2N=C1CC1=CC=CC=C1)Cl)=O>>C(C)(C)(C)OC(NCCCN(C(C1=CC=C(C=C1)C)=O)C(C1CC1)C1=NC2=CC(=CC=C2N=C1CC1=CC=CC=C1)Cl)=O | 5 |
C1(CCCC1)[C@H](CC#N)N1N=CC(=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C>>N1N=CC(=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C | 5 |
C(C)(C)(C)C=1C=C(N(N1)C1=CC=C(C=C1)C)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2CCC(CC2)CCO[Si](C(C)C)(C(C)C)C(C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)C=1C=C(N(N1)C1=CC=C(C=C1)C)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2CCC(CC2)CCO | 3 |
C(C)(=O)C1=NC(=CC=C1)Br>[C-]#N.[K+].C([O-])([O-])=O.[NH4+].[NH4+].C(C)O.O>BrC1=CC=CC(=N1)C1(C(NC(N1)=O)=O)C | 3 |
[O:1]=O.[C:3]1([C:9]([C:11]2[CH:12]=[C:13]([CH:17]([CH3:21])[C:18]([OH:20])=[O:19])[CH:14]=[CH:15][CH:16]=2)=C)[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1>C1C=C2C(C=C(C([O-])=O)C=C2)=CC=1.C1C=C2C(C=C(C([O-])=O)C=C2)=CC=1.[Co+2].C(O)(=O)C>[C:9]([C:11]1[CH:12]=[C:13]([CH:17]([CH3:21])[C:18]([OH:20])=[O:19])[CH:14]=[CH:15][CH:16]=... | 1 |
CC1=C(N)C=C(C=C1)[N+](=O)[O-].FC1=NC=CC=C1C1=C2N=CN(C2=NC=N1)C1OCCCC1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>CC1=C(C=C(C=C1)[N+](=O)[O-])NC1=NC=CC=C1C1=C2N=CN(C2=NC=N1)C1OCCCC1 | 3 |
C(C)(C)(C)C=1NC(=C(C1)C(=O)N1C(C(NCC1)=O)(C)C)[N+](=O)[O-]>CO[H].[HH].[Pd]>NC=1NC(=CC1C(=O)N1C(C(NCC1)=O)(C)C)C(C)(C)C | 3 |
C([N:8]1[CH2:12][CH2:11][C:10]([C:17]2[CH:22]=[C:21]([Cl:23])[CH:20]=[C:19]([Cl:24])[CH:18]=2)([C:13]([F:16])([F:15])[F:14])[CH2:9]1)C1C=CC=CC=1.ClC(OC(Cl)C)=O.O>ClCCCl.CO>[Cl:23][C:21]1[CH:22]=[C:17]([C:10]2([C:13]([F:16])([F:15])[F:14])[CH2:11][CH2:12][NH:8][CH2:9]2)[CH:18]=[C:19]([Cl:24])[CH:20]=1 | 1 |
C(C)(=S)N.OC1=CC(=CC2=C1SC=C2)C#N>>OC1=CC(=CC2=C1SC=C2)C(N)=S | 5 |
C(#N)C1=C(C=C(C=C1)N1N=C(C(=C1C)CC1=CC=C(C(=O)OC)C=C1)C)C(F)(F)F>C1CCCO1.CO[H].[OH-].[Na+]>C(#N)C1=C(C=C(C=C1)N1N=C(C(=C1C)CC1=CC=C(C(=O)O)C=C1)C)C(F)(F)F | 3 |
Cl[C:2]1[CH:9]=[CH:8][CH:7]=[C:4]([C:5]#[N:6])[C:3]=1[C:10]#[N:11].[C:12]1(B(O)O)[C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH:15]=[CH:14][CH:13]=1.[F-].[Cs+]>ClCCl.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[C:20]1([C:2]2[CH:9]=[CH:8][CH:7]=[C:4]([C:5]#[N:6])[C:3]=2[C:10]#[N:11])[C:21]2[C:... | 2 |
C(CCC)OC1=CC=C(C=C1)S(=O)(=O)N1CC(C1)N(CC(COC1=CC=C(C=C1)OS(=O)(=O)C1=CC=C(C=C1)OCCCC)O)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(CCC)OC1=CC=C(C=C1)S(=O)(=O)N1CC(C1)NCC(COC1=CC=C(C=C1)OS(=O)(=O)C1=CC=C(C=C1)OCCCC)O | 3 |
C(C)OC(CC1C(CN(CC1)C(=O)OC(C)(C)C)(F)F)=O>C1CCCO1.[OH-].[Na+]>C(C)(C)(C)OC(=O)N1CC(C(CC1)CC(=O)O)(F)F | 3 |
SCCO.ClC1=NC=CN=C1N1CCN(CC1)C(=O)OC(C)(C)C>>OCCSC=1C(=NC=CN1)N1CCN(CC1)C(=O)OC(C)(C)C | 5 |
C(C1=CC=CC=C1)N=C=S.FC(C1=CC=NC=C1C(=O)N)(F)F>>C(C1=CC=CC=C1)N1C(SCC1)=NC(=O)C=1C=NC=CC1C(F)(F)F | 5 |
BrCC(=O)OC(C)(C)C.COC(CC1=CC=C(C=C1)OCC=1C=C(C=CC1)C1=CC=C(C=C1)C(F)(F)F)=O>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>COC(C(CC(=O)OC(C)(C)C)C1=CC=C(C=C1)OCC=1C=C(C=CC1)C1=CC=C(C=C1)C(F)(F)F)=O | 3 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.BrC1=NC(=CC2=C1SC(=N2)NC(=O)NCC)Br>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC1=CC2=C(C(=N1)C1=NC=CC=C1)SC(=N2)NC(=O)NCC | 3 |
CS(Cl)(=O)=O.[Cl:6][C:7]1[CH:22]=[C:21]2[C:10]([CH2:11][C:12]3[CH:16]=[CH:15][N:14]([CH2:17][C@H:18](O)[CH3:19])[C:13]=32)=[CH:9][CH:8]=1.C(N(CC)CC)C.[N-:30]=[N+:31]=[N-:32].[Na+]>ClCCl.C(OCC)C.CN(C)C=O.O>[N:30]([C@@H:18]([CH3:19])[CH2:17][N:14]1[CH:15]=[CH:16][C:12]2[CH2:11][C:10]3[C:21]([C:13]1=2)=[CH:22][C:7]([Cl:6]... | 1 |
FC(C=1C=C(C=CC1)N=C=O)(F)F.NC1=C(C=C(OC=2C3=C(N=CN2)C=C(N3C)C#N)C=C1)Cl>C1CCCO1.CCN(CC)CC>ClC1=C(C=CC(=C1)OC=1C2=C(N=CN1)C=C(N2C)C#N)NC(=O)NC2=CC(=CC=C2)C(F)(F)F | 3 |
[CH:1]1([C:4]2[N:8]([C:9]3[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=3)[N:7]=[C:6]([CH3:19])[C:5]=2[C:20]([N:22]2[CH2:27][CH2:26][C:25](=O)[CH2:24][CH2:23]2)=[O:21])[CH2:3][CH2:2]1.Cl.[CH3:30][C@@H:31]1[C@H:35]([OH:36])[CH2:34][CH2:33][NH:32]1>>[CH:1]1([C:4]2[N:8]([C:9]3[CH:14]=[CH:13][CH:12]=[C... | 1 |
BrC=1C=C2N(N=CC(=C2Cl)C(=O)N)C1.N[C@H]1C([C@](CC1)(C(=O)OC)C)(C)C>>BrC=1C=C2N(N=CC(=C2N[C@H]2C([C@](CC2)(C(=O)OC)C)(C)C)C(N)=O)C1 | 5 |
C1COCCN1.ClCC1=NOC(=N1)CCC(=O)O>>N1(CCOCC1)CC1=NOC(=N1)CCC(=O)[O-].[Na+] | 5 |
[Br-].[Li+].[CH3:3][O:4][C:5]1[CH:6]=[C:7]([Mg]Br)[CH:8]=[CH:9][CH:10]=1.C[CH:14]([CH2:18][CH2:19][CH2:20][C:21](Cl)=[O:22])[C:15](Cl)=[O:16].C1C[O:27][CH2:26]C1>[Cu]Br>[CH3:26][O:27][C:21](=[O:22])[CH2:20][CH2:19][CH2:18][CH2:14][C:15]([C:7]1[CH:8]=[CH:9][CH:10]=[C:5]([O:4][CH3:3])[CH:6]=1)=[O:16] | 2 |
[CH3:1][C:2]([CH3:39])([C@H:4]([N:7]([C:20](=[O:38])[C:21]1[CH:26]=[CH:25][C:24]([CH:27]=O)=[C:23]([B:29]2OC(C)(C)C(C)(C)[O:30]2)[CH:22]=1)[NH:8][C:9](=[O:19])[C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([O:16][CH3:17])[C:11]=1[CH3:18])[CH2:5][CH3:6])[CH3:3].O.[NH2:41][NH2:42]>CCO>[CH3:1][C:2]([CH3:39])([C@H:4]([N:7]([C:20]([C... | 2 |
Cl.ClC1=C(C=2N(C=C1)C=NC2CN)F.C(#N)C=1C=C(C=C2C=C(C=NC12)C1CC1)CN1N=NC(=C1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC1=C(C=2N(C=C1)C=NC2CNC(=O)C=2N=NN(C2)CC=2C=C1C=C(C=NC1=C(C2)C#N)C2CC2)F | 3 |
C(C)(C)(C)OC(CC[C@H](C[C@@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C)C(=O)N1C(OC[C@H]1C)=O)=O>C1CCCO1.CO[H].[Na+].[BH4-]>C(C)(C)(C)OC(CC[C@H](C[C@@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C)CO)=O | 3 |
[O:1]=[C:2]1[NH:7][CH2:6][CH2:5][N:4]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:3]1.C([N-]C(C)C)(C)C.[Li+].Br[CH2:24][C:25]([C:27]1[C:28]([CH3:36])=[C:29]([C:32]([F:35])=[CH:33][CH:34]=1)[C:30]#[N:31])=[O:26]>C1COCC1>[C:30]([C:29]1[C:28]([CH3:36])=[C:27]([C:25](=[O:26])[CH2:24][N:7]2[CH2:6][CH2:5][N:4]... | 1 |
ClC1=C(C(=NC(=C1[N+](=O)[O-])Cl)C)C(=O)OCC>CCN(CC)CC.C1=CC=CC=C1.CN1CCNCC1.Cl.C(C)N(CC)CC>C(C)OC(=O)C=1C(=NC(=C(C1Cl)[N+](=O)[O-])N1CCN(CC1)C)C | 3 |
N(=[N+]=[N-])[C@@H]1C([C@@H]2OC(OC[C@H]2OC1OCC1=CC=CC=C1)C1=CC=CC=C1)(F)F>CO[H].ClCCl.c1ccncc1.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)O)C.[N-]=[N+]=[N-].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>N(=[N+]=[N-])[C@@H]1C([C@@H]([C@H](OC1OCC1=CC=CC=C1)CN=[N+]=[N-])O)(F)F | 3 |
C(N(C(C)C)CC)(C)C.[Cl:10][C:11]1[CH:12]=[C:13]([Cl:32])[C:14]2[N:15]([C:17]([CH2:28][C:29](O)=[O:30])=[C:18]([C:20]3[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=3)[N:19]=2)[CH:16]=1.[CH3:33][NH:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.C(O)(=O)C>CN(C=O)C.O>[Cl:10][C:... | 2 |
C(C1=CC=CC=C1)OC=1C(=C2CCCC2=CC1)CC(=O)OC(C)(C)C>[HH].[Pd].FC(CO)(F)F>OC=1C(=C2CCCC2=CC1)CC(=O)OC(C)(C)C | 3 |
BrCC(=O)N.N1(CCNCC1)C1=CC=C(C=C1)NC(=O)C=1C(=C(C=CC1)C)C1=CC=C(C=C1)C(C)C>>C(N)(=O)CN1CCN(CC1)C1=CC=C(C=C1)NC(=O)C=1C(=C(C=CC1)C)C1=CC=C(C=C1)C(C)C | 5 |
Br[C:2]1[N:11]=[C:10]2[C:5]([CH:6]([O:12][Si:13]([C:26]([CH3:29])([CH3:28])[CH3:27])([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[CH2:7][CH2:8][NH:9]2)=[CH:4][CH:3]=1.[Li]CCCC.CN([CH:38]=[O:39])C>C1COCC1>[Si:13]([O:12][CH:6]1[CH2:7][CH2:8][NH:9][C:10]2[N:11]=[C:2]([CH:3... | 1 |
CC1(CC=C(CC1)B(O)O)C.BrC1=CC=C(C=C1)N1N=CC2=CC(=C(C(=C12)F)O)F>O.C([O-])([O-])=O.[K+].[K+].COCCOC.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]>CC1(CCC(=CC1)C1=CC=C(C=C1)N1N=CC2=CC(=C(C(=C12)F)O)F)C | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5](B(O)O)=[CH:4][CH:3]=1.Br[C:12]1[CH:13]=[CH:14][C:15]([CH3:19])=[C:16]([CH:18]=1)[NH2:17].C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=... | 1 |
C(CCC)(=O)CC(=O)OCC.N(=[N+]=[N-])C1=CC=C(C(=O)NCCN2CCOCC2)C=C1>>N1(CCOCC1)CCNC(=O)C1=CC=C(C=C1)N1N=NC(=C1CCC)C(=O)[O-].[Na+] | 5 |
FC=1C=C(C=C(C1OCCOC)F)NC=1N=C(C2=C(N1)NC=C2)OC2=CC(=CC=C2)[N+](=O)[O-]>>NC=1C=C(OC=2C3=C(N=C(N2)NC2=CC(=C(C(=C2)F)OCCOC)F)NC=C3)C=CC1 | 5 |
S(Cl)(C1C=CC(C)=CC=1)(=O)=O.[C:12]([NH:31][C:32]1[S:33][CH:34]=[C:35]([C:37](=[N:41][O:42][C:43]([C:56]2[CH:61]=[CH:60][CH:59]=[CH:58][CH:57]=2)([C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=2)[C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[C:38](O)=[O:39])[N:36]=1)([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)([C:19]... | 1 |
[NH2:1][CH:2]1[CH:9]2[CH2:10][C:5]3(O)[CH2:6][CH:7]([CH2:11][CH:3]1[CH2:4]3)[CH2:8]2.CCN(S(F)(F)[F:19])CC>C1(C)C=CC=CC=1>[F:19][C:5]12[CH2:10][CH:9]3[CH2:8][CH:7]([CH2:11][CH:3]([CH:2]3[NH2:1])[CH2:4]1)[CH2:6]2 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][C:15]=1[Cl:16])[O:5][C:6]1[CH:7]=[N:8][C:9]([OH:12])=[N:10][CH:11]=1.[CH3:17][N:18]([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C:19](Cl)=[O:20].N12CCN(CC1)CC2.O>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][C:15]=1[Cl:16])[O:5][C:6]1[CH:11]=[N:10][C:9]([O:12][C:19](=[O:... | 1 |
COC1=C(CN2CC=3N=C(N=C(C3C2=O)C=2C=NN(C2)C)N[C@H]2[C@H](CCCC2)NC(OC(C)(C)C)=O)C=CC(=C1)OC>>N[C@@H]1[C@@H](CCCC1)NC=1N=C(C2=C(N1)CNC2=O)C=2C=NN(C2)C | 5 |
I[C:2]1[CH:29]=[CH:28][C:5]2[N:6]([CH2:9][C:10]3[CH:15]=[CH:14][C:13]([O:16][CH2:17][C:18]4[CH:19]=[N:20][C:21]([O:24][CH3:25])=[CH:22][CH:23]=4)=[C:12]([O:26][CH3:27])[CH:11]=3)[CH:7]=[N:8][C:4]=2[CH:3]=1.C(=O)([O-])[O-].[K+].[K+].[CH3:36][N:37](C)C=O>[C-]#N.[Zn+2].[C-]#N.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(... | 1 |
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