smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
OC=1C=C(C=CC1)C=1N=CN(C1)C(=O)OC(C)(C)C>CC#N.C([O-])([O-])=O.[K+].[K+].BrCC(=O)OC>N1C=NC(=C1)C=1C=C(OCC(=O)OC)C=CC1 | 3 |
C(C1=CC=CC=C1)Cl.COC(CC1=CC=C(C=C1)O)=O>>COC(CC1=CC=C(C=C1)OCC1=CC=CC=C1)=O | 5 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[S:6]([NH:9][C:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]([O:20]CC(OC(C)(C)C)=O)=[CH:12][CH:11]=1)(=[O:8])=[O:7].Br[CH:30]([CH2:36][CH3:37])[C:31]([O:33][CH2:34]C)=[O:32]>>[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[S:6]([NH:9][C:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:... | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[NH:9][CH:8]=[CH:7]2)([O-:3])=[O:2].[H-].[Na+].I[CH3:16].[Cl-].[NH4+]>CN(C)C=O>[CH3:16][N:9]1[C:10]2[C:6](=[CH:5][C:4]([N+:1]([O-:3])=[O:2])=[CH:12][CH:11]=2)[CH:7]=[CH:8]1 | 2 |
[F:1][C:2]1[C:7]([S:8]([CH3:11])(=[O:10])=[O:9])=[CH:6][CH:5]=[CH:4][C:3]=1[CH:12]1[CH2:17][CH2:16][N:15](C(OC)=O)[CH2:14][CH2:13]1>C(O)C.Cl>[F:1][C:2]1[C:7]([S:8]([CH3:11])(=[O:10])=[O:9])=[CH:6][CH:5]=[CH:4][C:3]=1[CH:12]1[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1 | 1 |
BrC=1C=CC(=C(C1)S(=O)(=O)NC1=CC(=CC(=C1)Cl)Cl)OC>>BrC=1C=CC(=C(C1)S(=O)(=O)NC1=CC(=CC(=C1)Cl)Cl)O | 5 |
Br[C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[C:4]([F:10])[CH:3]=1.O.[CH3:12][N:13](C)C=O>Cl>[C:12]([C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[C:4]([F:10])[CH:3]=1)#[N:13] | 1 |
C(N)(=O)C1(CC1)C1=C(CCC2=NC(=NC=C2C(F)(F)F)NC2=CC=C(C=C2)C2CN(C2)C(=O)OC(C)(C)C)C=CC=C1>ClCCl.C(=O)(C(F)(F)F)O>N1CC(C1)C1=CC=C(C=C1)NC1=NC=C(C(=N1)CCC1=C(C=CC=C1)C1(CC1)C(=O)N)C(F)(F)F | 3 |
[CH3:1][O:2][C:3]1[C:4]([CH2:12][N:13]([CH3:15])[CH3:14])=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][CH:7]=[CH:6]2.CN(C=O)C.[F:21][C:22]1[CH:27]=[CH:26][C:25]([S:28](Cl)(=[O:30])=[O:29])=[CH:24][C:23]=1[C:32]([F:35])([F:34])[F:33]>>[F:21][C:22]1[CH:27]=[CH:26][C:25]([S:28]([N:8]2[C:9]3[C:5](=[C:4]([CH2:12][N:13]([CH3:14])[CH... | 1 |
[C:1]1([CH2:7][C:8]([NH:10][C@H:11]([C:16]([OH:18])=[O:17])[CH2:12][C:13]([OH:15])=O)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>CC(OCC1C2C(=CC=CC=2)C(COC(C)=O)=C2C=1C=CC=C2)=O>[C:1]1([CH2:7][C:8]([NH:10][C@@H:11]2[C:16](=[O:17])[O:18][C:13](=[O:15])[CH2:12]2)=[O:9])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(C1=CC=CC=C1)Br.O.OS(=O)(=O)O.OC1=C(C=C(C=C1)S(=O)(=O)O)I>>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)S(=O)(=O)[O-])I.[Na+] | 5 |
NO.COC[C@@H]1OC2=C(CN(C1)C(NC1=CC=C(C=C1)OC)=O)C=CC(=C2)C(=O)OC>>ONC(=O)C1=CC2=C(CN(C[C@@H](O2)COC)C(=O)NC2=CC=C(C=C2)OC)C=C1 | 5 |
C(OC([N:8]([C:16]1[CH:21]=[CH:20][C:19]([CH2:22]Br)=[CH:18][C:17]=1[Br:24])C(OC(C)(C)C)=O)=O)(C)(C)C.[P:25]([O:32]CC)([O:29][CH2:30][CH3:31])[O:26][CH2:27][CH3:28]>>[NH2:8][C:16]1[CH:21]=[CH:20][C:19]([CH2:22][P:25](=[O:32])([O:29][CH2:30][CH3:31])[O:26][CH2:27][CH3:28])=[CH:18][C:17]=1[Br:24] | 1 |
[CH:1]([O:4][C:5]1[CH:25]=[CH:24][C:8]([O:9][C:10]2[S:11][C:12]([C:15]3[CH:16]=[C:17]([CH:21]([NH2:23])[CH3:22])[CH:18]=[N:19][CH:20]=3)=[CH:13][N:14]=2)=[CH:7][CH:6]=1)([CH3:3])[CH3:2].[CH3:26][N:27]=[C:28]=[O:29]>C(Cl)Cl>[CH:1]([O:4][C:5]1[CH:25]=[CH:24][C:8]([O:9][C:10]2[S:11][C:12]([C:15]3[CH:16]=[C:17]([CH:21]([NH... | 1 |
ClC=1C=C(C=CC1)C=CC(=O)N>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC=1C=C(C=CC1)CCCN | 3 |
CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1.[C@@H]1([C@H](CCC1)N)N>>C(C)(C)(C)OC(=O)N[C@H]1[C@H](CCC1)N | 5 |
I.COC(C1=CC=C(C=C1)C1CCN(CC1)C(C)C)=O>>Cl.C(C)(C)N1CCC(CC1)C1=CC=C(C(=O)O)C=C1 | 5 |
C1(=CC=CC=C1)/C(=C(\CCO)/C1=CC=CC=C1)/C1=CC=C(C=C1)O>C([O-])([O-])=O.[K+].[K+].BrC(C)Br.C(C)C(=O)C>C1(=CC=CC=C1)C(=C(CCO)C1=CC=CC=C1)C1=CC=C(C=C1)OCCBr | 3 |
[CH3:1][C:2]1([CH3:25])[O:6][C:5](=[O:7])[C:4]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([F:14])[CH:9]=2)=[C:3]1[C:15]1[CH:20]=[CH:19][C:18]([S:21]([CH3:24])(=[O:23])=[O:22])=[CH:17][CH:16]=1.CC(C[AlH]CC(C)C)C.CC(C)=O.C(C(C(C([O-])=O)O)O)([O-])=O.[Na+].[K+]>C1COCC1.CO>[CH3:1][C:2]1([CH3:25])[O:6][CH:5]([OH:7])[C:4]([C:8]2[CH... | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)OP(OC=1C=C2C=NN(C2=CC1)C(C)=O)(=O)C1=CC=CC=C1>>COP(OC=1C=C2C=NNC2=CC1)(=O)C1=CC=CC=C1 | 5 |
[I:1][C:2]1[CH:3]=[C:4]([CH:6]=[C:7]([I:10])[C:8]=1[I:9])[NH2:5].O.[N:12]([O-])=O.[Na+].O.O.Cl[Sn]Cl>Cl>[I:1][C:2]1[CH:3]=[C:4]([NH:5][NH2:12])[CH:6]=[C:7]([I:10])[C:8]=1[I:9] | 1 |
BrC=1C=C2C=CNC2=CC1.ClC(C(=O)O)(Cl)Cl>C1(=CC=CC=C1)C.CC(=O)C.C(C)[SiH](CC)CC.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>CC1=CC=C2C(=CNC2=C1)C(C)C | 3 |
[CH:1]1[C:13]2[CH:12]([CH2:14][O:15][C:16]([NH:18][C@@H:19]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:20][C:21](O)=[O:22])=[O:17])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.[CH3:31][N:32](C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN>CN(C=O)C.O>[C... | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[C:4]([Cl:11])[C:3]=1I.[CH:13]1([B-](F)(F)F)[CH2:15][CH2:14]1.[K+].C(=O)([O-])[O-].[K+].[K+].O1CCCC1>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.O>[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[C:4]([Cl:11])[C... | 2 |
[CH2:1]=[O:2].[Br-].[CH3:4][C:5]1[CH:6]=[CH:7][C:8]2[NH:13][C:12]([C:14]3[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][CH:15]=3)=[CH:11][N+:9]=2[CH:10]=1>O.C(O)(=O)C>[CH3:4][C:5]1[CH:6]=[CH:7][C:8]2[N:9]([C:11]([CH2:1][OH:2])=[C:12]([C:14]3[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][CH:15]=3)[N:13]=2)[CH:10]=1 | 2 |
[CH2:1]([O:8][C:9]1[C:14]([C:15](C2C=CC=CC=2)(O)[CH3:16])=[CH:13][CH:12]=[CH:11][C:10]=1[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[O:30][CH3:31])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:32]1(C)[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>O>[CH2:1]([O:8][C:9]1[C:14]([CH:15]=[CH:16][C:32]2[C... | 1 |
BrC=1C(=NC(=C(C1)[N+](=O)[O-])C)O[C@@H]1CC[C@@H](CC1)C(C)C>[Fe].[Cl-].[NH4+].C(C)O.O>BrC=1C=C(C(=NC1O[C@@H]1CC[C@@H](CC1)C(C)C)C)N | 3 |
NC=1C2=C(N=CN1)N(C=C2Cl)[C@H]2C[C@@H]([C@@](O2)(C#C)CO)O[Si](C)(C)C(C)(C)C>>NC=1C2=C(N=CN1)N(C=C2Cl)[C@H]2C[C@@H]([C@](O2)(CO)C#C)O | 5 |
[CH2:1]([N:8]1[C:12](=[O:13])[CH2:11][CH:10]([CH2:14][OH:15])[CH:9]1[C:16]1[C:21]([Cl:22])=[CH:20][CH:19]=[CH:18][C:17]=1[Cl:23])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[S:24](Cl)([C:27]1[CH:33]=[CH:32][C:30]([CH3:31])=[CH:29][CH:28]=1)(=[O:26])=[O:25]>[K]>[CH2:1]([N:8]1[C:12](=[O:13])[CH2:11][CH:10]([CH2:14][O:15][S:... | 1 |
ClC1=NC=C(C(=O)Cl)C=C1.ClC1=C(C(=CC=C1)N)NCCC>>ClC1=CC=CC2=C1N(C(=N2)C=2C=NC(=CC2)Cl)CCC | 5 |
C(C)(C)(C)OC(C[Zn]Br)=O.BrC1=C(CO[C@@H]2COCC2)C=CC(=C1)F>C1CCCO1.C(C)(=O)OCC.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)[C-]1C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[Fe+2]>FC=1C=CC... | 3 |
ClC=1C=C(C=CC1)B(O)O.BrC1=NSC(=N1)N1CCN(CC1)C(=O)OC(C)(C)C>O.C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>Cl.Cl.ClC=1C=C(C=CC1)C1=NSC(=N1)N1CCNCC1 | 3 |
C([O:8][C:9]([C@H:11]1[CH2:15][CH2:14][CH2:13][N:12]1[C:16](=[O:40])/[C:17](/[CH3:39])=[CH:18]/[CH:19]=[C:20](\[CH3:38])/[C:21]([N:23]1[CH2:27][CH2:26][CH2:25][C@@H:24]1[C:28]([O:30]CC1C=CC=CC=1)=[O:29])=[O:22])=[O:10])C1C=CC=CC=1>O1CCOCC1>[C:28]([C@H:24]1[CH2:25][CH2:26][CH2:27][N:23]1[C:21](=[O:22])/[C:20](/[CH3:38])... | 1 |
FC1=C(C=CC=C1F)B(O)O.ClC1=NC=NC(=C1)Cl>COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>ClC1=NC=NC(=C1)C1=C(C(=CC=C1)F)F | 3 |
NC=1C=C(C=CC1C(C)(C)C)NC(=O)C1=CNC2=CC=CC=C2C1=O>CO[H].ClCCl.C=O.C(C)(=O)O.C(#N)[BH3-].[Na+]>CN(C=1C=C(C=CC1C(C)(C)C)NC(=O)C1=CNC2=CC=CC=C2C1=O)C | 3 |
[N:1]1[CH:6]=[CH:5][C:4]([CH2:7][NH2:8])=[CH:3][CH:2]=1.[C:9](OC(=O)C)(=[O:11])[CH3:10].[I:16][CH3:17]>CO>[I-:16].[NH:8]([CH2:7][C:4]1[CH:5]=[CH:6][N+:1]([CH3:17])=[CH:2][CH:3]=1)[C:9]([CH3:10])=[O:11] | 1 |
COC1=CC=C(C=C1)B(O)O.BrC1=CC=C(C=C1)S(=O)(=O)C1C(N(CCCC1)OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)C1C(N... | 3 |
[C:1]([O:5][C:6](=[O:16])[CH2:7][O:8][C:9]1[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].[C:17]([N:24]1[CH2:29][CH2:28][C:27](=O)[CH2:26][CH2:25]1)([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18]>>[C:20]([O:19][C:17]([N:24]1[CH2:29][CH2:28][CH:27]([NH:15][C:12]2[CH:11]=[CH:10][C:9]([O:8][C... | 1 |
[NH:1]1[C:5]([C:6]2[CH:13]=[CH:12][CH:11]=[CH:10][C:7]=2[CH:8]=[O:9])=[N:4][N:3]=[N:2]1.[C:14](=O)([O-])[O-].[K+].[K+].CI.C(OCC)(=O)C>CN(C=O)C.O1CCOCC1>[CH3:14][N:3]1[N:2]=[N:1][C:5]([C:6]2[CH:13]=[CH:12][CH:11]=[CH:10][C:7]=2[CH:8]=[O:9])=[N:4]1 | 1 |
[C:1]([CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11](=O)[C:12]1[CH:17]=[CH:16][CH:15]=[N:14][CH:13]=1)#[N:2].[H-].[Na+]>CN(C=O)C.C(OCC)(=O)C>[N:14]1[CH:15]=[CH:16][CH:17]=[C:12]([C:11]2[NH:10][C:5]3[C:4]([C:3]=2[C:1]#[N:2])=[CH:9][CH:8]=[CH:7][CH:6]=3)[CH:13]=1 | 1 |
ClC(CC(=O)OC)=O.NC1=C(C=C(OC2=CC=C(CN(C=3C(=C(C=CC3)N(S(=O)(=O)C)S(=O)(=O)C)C)CC3=CC=C(C=C3)C#N)C=C2)C=C1)OCCC=1C=NC=CC1>>C(#N)C1=CC=C(CN(C2=C(C(=CC=C2)N(S(=O)(=O)C)S(=O)(=O)C)C)CC2=CC=C(OC3=CC(=C(C=C3)NC(CC(=O)OC)=O)OCCC=3C=NC=CC3)C=C2)C=C1 | 5 |
[C:1]([O:4][C@@H:5]1[C@@H:10]([O:11][C:12](=[O:14])[CH3:13])[C@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@@H:8]([O:19]/[C:20](/[C:29]([O:31][CH2:32][CH3:33])=[O:30])=[CH:21]\[C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2F)[O:7][C@H:6]1[CH2:34][O:35][C:36](=[O:38])[CH3:37])(=[O:3])[CH3:2].C1(CC(=O)C(OCC)=O)C=CC=CC=1.[H-].[Na+... | 1 |
C1(CC1)C(=O)NC1=NC=CC(=C1)OC1=CC(=C(C=C1)NC(OC(C)(C)C)=O)F>ClCCl.C(=O)(C(F)(F)F)O>NC1=C(C=C(OC2=CC(=NC=C2)NC(=O)C2CC2)C=C1)F | 3 |
ClCC1OC1.ClC=1NC=C(N1)[N+](=O)[O-]>>ClC=1N(C=C(N1)[N+](=O)[O-])CC(CCl)O | 5 |
Cl[C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[CH:11][CH:10]=2)[N:5]=[CH:4][N:3]=1.[NH2:18][C:19]1[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=1.CCN(C(C)C)C(C)C>CC(O)C>[N+:15]([C:12]1[CH:13]=[CH:14][C:9]([O:8][C:6]2[N:5]=[CH:4][N:3]=[C:2]([NH:18][C:19]3[CH:24]=[CH:23][C:22]([OH:25])=[C... | 2 |
C[Si]([N-][Si](C)(C)C)(C)C.[Na+].[Br:11][C:12]1[N:17]=[CH:16][C:15]2[CH:18]=[C:19]([C:21]3[CH:22]=[N:23][N:24]([CH3:26])[CH:25]=3)[NH:20][C:14]=2[CH:13]=1.Br[CH2:28][CH:29]1[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1.[H-].[Na+]>CN(C=O)C.O.CCOC(C)=O>[Br:11][C:12]1[N:17]=[CH:16][C:15]2[CH:18]=[C:19]([C:21]3[CH:22]=[N:23][N... | 1 |
[K][N:2]1[C:10](=[O:11])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:12].[Cl:13][C:14]1[N:19]=[C:18]([Cl:20])[CH:17]=[C:16]([CH2:21]Cl)[N:15]=1.CN(C)C=O>O>[Cl:13][C:14]1[N:15]=[C:16]([CH2:21][N:2]2[C:10](=[O:11])[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3]2=[O:12])[CH:17]=[C:18]([Cl:20])[N:19]=1 | 2 |
C1COCCN1.BrCCCOC(C(C)(C)C1=CC(=C2[C@H]3[C@H](C(OC2=C1)(C)C)CC=C(C3)C)O)=O>CC#N.CCN(CC)CC>OC1=C2[C@H]3[C@H](C(OC2=CC(=C1)C(C(=O)OCCCN1CCOCC1)(C)C)(C)C)CC=C(C3)C | 3 |
FC=1C=NC=CC1[Sn](CCCC)(CCCC)CCCC.BrC=1C=C(C(=NC1C1=C(C=CC=C1)F)N)[N+](=O)[O-]>>FC=1C=NC=CC1C=1C(=NC(=C(C1)[N+](=O)[O-])N)C1=C(C=CC=C1)F | 5 |
C1(=CC=CC=C1)O.ClCC1OC1>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(CC)OC1=C2C(=CC=C1)O2 | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][C:3]=1[Cl:9].[C:10]([N:17]1[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1)([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11].CC(C)([O-])C.[Na+].C1(C)C=CC=CC=1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC... | 1 |
FC1=CC=C(C(=C1C=O)[N+](=O)[O-])OC>[Fe].CCO[H].Cl.C(C)(=O)O.C(O)([O-])=O.[Na+]>NC1=C(C=O)C(=CC=C1OC)F | 3 |
S1C(NC(C1)=O)=O.C(=O)C1=CC=C(C=C1)C=1C=C(SC1)CN(C(C1=CC=CC=C1)=O)C>C1(=CC=CC=C1)C.C(C)(=O)[O-].[NH2+]1CCCCC1>O=C1SC(C(N1)=O)=CC1=CC=C(C=C1)C=1C=C(SC1)CN(C(C1=CC=CC=C1)=O)C | 3 |
C(Cl)(=O)C(Cl)=O.[Br:7][C:8]1[C:16]([O:17][C:18]2[CH:23]=[CH:22][C:21]([F:24])=[CH:20][C:19]=2[F:25])=[CH:15][C:11]([C:12](O)=[O:13])=[C:10]([NH:26][S:27]([CH2:30][CH3:31])(=[O:29])=[O:28])[CH:9]=1.ClCCl.[OH-].[NH4+:36]>C(OCC)(=O)C.CN(C)C=O>[Br:7][C:8]1[C:16]([O:17][C:18]2[CH:23]=[CH:22][C:21]([F:24])=[CH:20][C:19]=2[F... | 1 |
C(C)(C)(C)OC(N(CCCl)CCCl)=O.N1=C(C=CC=C1)CC#N>>C(#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C1=NC=CC=C1 | 5 |
Cl.NC1C(NC(CC1)=O)=O.[Si](C)(C)(C(C)(C)C)OCC1=C(C(=O)O)C=CC(=C1)N1CCC(CC1)COC1OCCCC1>N(C)(C)C=O.O.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>[Si](C)(C)(C(C)(C)C)OCC1=C(C(=O)NC2C(NC(CC2)=O)=O)C=CC(=C1)N1CCC(CC1)COC1OCCCC1 | 3 |
COC1=CC=C(C=C1)C=1SC=CC1>>S1C(=CC=C1)C1=CC=C(C=C1)O | 5 |
C([O:4][C:5]1[C:12]([O:13][CH3:14])=[CH:11][CH:10]=[C:9]([Br:15])[C:6]=1[CH:7]=[O:8])(=O)C.C(=O)(O)[O-].[Na+]>CO>[OH:4][C:5]1[C:12]([O:13][CH3:14])=[CH:11][CH:10]=[C:9]([Br:15])[C:6]=1[CH:7]=[O:8] | 1 |
[N:1]([Si](C)(C)C)=[N+]=[N-].[Cl:8][C:9]1[C:19]([Cl:20])=[CH:18][C:12]2[C:13](=[O:17])[O:14]C(=O)[C:11]=2[CH:10]=1>C1(C)C=CC=CC=1>[NH2:1][C:11]1[CH:10]=[C:9]([Cl:8])[C:19]([Cl:20])=[CH:18][C:12]=1[C:13]([OH:14])=[O:17] | 2 |
C(OC(=O)[NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([C:13]2[N:14]=[C:15]([NH:25][CH2:26][CH3:27])[S:16][C:17]=2[C:18]2[CH:23]=[CH:22][N:21]=[C:20](Cl)[N:19]=2)[CH:8]=1)C=C.[Cl-].[F:30][C:31]1[CH:32]=[C:33]([NH3+:45])[CH:34]=[CH:35][C:36]=1[O:37][CH2:38][CH2:39][N:40]1[CH2:44][CH2:43][CH2:42][CH2:41]1.CC(C)(C)C(=S)N.CCCC[N... | 2 |
BrCC(=O)OCC.BrC1=C2C(NC=NC2=CC=C1)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC1=C2C(N(C=NC2=CC=C1)CC(=O)OCC)=O | 3 |
[CH2:1]([O:4][C:5]1([CH3:50])[CH2:10][CH2:9][N:8]([C:11]2[C:12]3[N:13]([N:28]=[C:29]([C:31]4[CH:32]=[C:33]([C:37]5[CH:42]=[C:41]([CH3:43])[CH:40]=[CH:39][C:38]=5[O:44][C@H:45]([CH2:47]C=C)[CH3:46])[CH:34]=[CH:35][CH:36]=4)[CH:30]=3)[CH:14]=[C:15]([CH3:27])[C:16]=2[C@H:17]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])[C:18]... | 2 |
[NH2:1][C:2]1[CH:7]=[C:6]([C:8]([CH3:11])([CH3:10])[CH3:9])[CH:5]=[CH:4][C:3]=1[NH:12][C:13](=O)[CH2:14][CH2:15][CH2:16][CH2:17][S:18][CH2:19][C@@H:20]1[C@@H:27]2[C@@H:23]([O:24][C:25]([CH3:29])([CH3:28])[O:26]2)[C@H:22]([N:30]2[CH:38]=[N:37][C:36]3[C:31]2=[N:32][CH:33]=[N:34][C:35]=3[NH2:39])[O:21]1>CC(O)=O>[C:8]([C:6... | 2 |
C(C1=CC=CC=C1)Br.O1COC2=C1C=CC(=C2)CN2C(C1=CC=C(C=C1C(=C2CO)C2=CC=CC=C2)Br)=O>>O1COC2=C1C=CC(=C2)CN2C(C1=CC=C(C=C1C(=C2COCC2=CC=CC=C2)C2=CC=CC=C2)Br)=O | 5 |
C([O-])(=O)/C=C/C([O-])=O.C(OC([N:16]1[CH2:21][CH2:20][CH2:19][CH:18]([N:22]2[CH2:26][CH2:25][CH2:24][CH2:23]2)[CH2:17]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)(Cl)Cl>[N:22]1([CH:18]2[CH2:19][CH2:20][CH2:21][NH:16][CH2:17]2)[CH2:26][CH2:25][CH2:24][CH2:23]1 | 1 |
[CH3:1][O:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1Br.C([Li])CCC.C([O:20][B:21](OC(C)C)[O:22]C(C)C)(C)C>C1COCC1>[CH3:1][O:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[B:21]([OH:22])[OH:20] | 1 |
C(O[C:4](=[O:10])[NH:5][C:6](=[O:9])[CH2:7]Cl)C.[Br:11][C:12]1[CH:17]=[CH:16][C:15]([NH2:18])=[CH:14][C:13]=1[CH3:19].CN(C)C1C=CC=CC=1>>[Br:11][C:12]1[CH:17]=[CH:16][C:15]([N:18]2[CH2:7][C:6](=[O:9])[NH:5][C:4]2=[O:10])=[CH:14][C:13]=1[CH3:19] | 1 |
ClC1=C(C=CC=C1)N=C=O.Cl.NCC=1C=C2CN(C(C2=CC1)=O)C1C(NC(CC1)=O)=O>N(C)(C)C=O.CCN(CC)CC>ClC1=C(C=CC=C1)NC(=O)NCC=1C=C2CN(C(C2=CC1)=O)C1C(NC(CC1)=O)=O | 3 |
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[CH2:10][N:11]([CH3:22])[CH:12]1[C:21]2[N:20]=[CH:19][CH:18]=[CH:17][C:16]=2[CH2:15][CH2:14][CH2:13]1.Cl.Cl[CH2:25][C:26]1[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=1.CN(CC1N(CC2C=NC=CC=2)C2C=CC=CC=2N=1)C1C2N=CC=CC=2CCC1>>[CH3:22][N:11]([CH2:10][C:2]1[N:3]([CH2:25][C:... | 2 |
[F:1][C:2]1[CH:27]=[CH:26][C:5]([O:6][CH2:7][CH:8]2[CH2:14][N:13]([C:15](=[O:24])[C:16]3[CH:21]=[C:20]([CH3:22])[CH:19]=[CH:18][C:17]=3I)[CH:12]([CH3:25])[CH2:11][CH2:10][CH2:9]2)=[CH:4][C:3]=1[CH3:28].C([Sn](CCCC)(CCCC)[C:34]1[S:35][CH:36]=[CH:37][N:38]=1)CCC>C1(C)C=CC=CC=1>[F:1][C:2]1[CH:27]=[CH:26][C:5]([O:6][CH2:7]... | 1 |
FC1=C(C(=CC(=C1)C1=NO[C@H](C1)CN1N=NC=C1)F)C1(CCSCC1)O>ClCCl.C(O)([O-])=O.[Na+].COCCN(CCOC)S(F)(F)F>FC=1C=C(C=C(C1C1(CCSCC1)F)F)C1=NO[C@H](C1)CN1N=NC=C1 | 3 |
[Cl:1][C:2]1[CH:12]=[C:11]([Cl:13])[CH:10]=[CH:9][C:3]=1[O:4][CH2:5][C:6]([OH:8])=O.[NH2:14][C:15]1[CH:20]=[CH:19][C:18]([N:21]2[C:27](=[O:28])[CH2:26][C:25](=[O:29])[NH:24][C:23]3[C:30]4[C:35]([CH:36]=[CH:37][C:22]2=3)=[CH:34][CH:33]=[CH:32][CH:31]=4)=[CH:17][CH:16]=1.ClC1C=C(Cl)C=CC=1OCC(Cl)=O>>[Cl:1][C:2]1[CH:12]=[C... | 1 |
OC1(CN(CC=C1)C(=O)OC(C)(C)C)C=1OC=CN1>O.ClCCl.CCN(CC)CC.S(=O)(Br)Br>BrC1CN(CC(=C1)C=1OC=CN1)C(=O)OC(C)(C)C | 3 |
[C:1](Cl)(=[O:3])[CH3:2].[CH:5]1([CH2:8][N:9]2[C:15](=[O:16])[C@@H:14]([NH:17][C:18]([N:20]3[CH2:25][CH2:24][CH:23]([N:26]4[CH:30]=[C:29]([C:31]5[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=5)[NH:28][C:27]4=[O:37])[CH2:22][CH2:21]3)=[O:19])[CH2:13][NH:12][C@H:11]([C:38]3[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=3)[CH2:10]2)[CH2:7... | 1 |
[C:1](O[BH3-])(=O)C.[Na+].[CH3:7][N:8]([CH3:49])[C:9]([C@@H:11]1[CH2:15][C@@H:14]([OH:16])[CH2:13][N:12]1[C:17]1([C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][C:42]=2[O:47][CH3:48])[C:25]2[C:20](=[CH:21][CH:22]=[C:23]([Cl:26])[CH:24]=2)[N:19]([S:27]([C:30]2[CH:39]=[C:38]3[C:33]([CH2:34][CH2:35][NH:36][CH2:37]3)=[CH:32][CH:31]=... | 1 |
[CH3:1][C:2]1[C:10]([CH3:11])=[CH:9][C:5]2[NH:6][CH:7]=[N:8][C:4]=2[CH:3]=1.[N+:12]([C:15]1[CH:22]=[CH:21][C:18]([CH2:19]Br)=[CH:17][CH:16]=1)([O-:14])=[O:13].C(=O)([O-])[O-].[K+].[K+].CN(C)C=O>O>[CH3:1][C:2]1[C:10]([CH3:11])=[CH:9][C:5]2[N:6]([CH2:19][C:18]3[CH:21]=[CH:22][C:15]([N+:12]([O-:14])=[O:13])=[CH:16][CH:17]... | 1 |
BrCCCCC(=O)OCC.C(C)C1=C(C=CC(=C1)O)C1=NOC(=N1)C=1C=CC(=C(C#N)C1)OC(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(#N)C=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=C(C=C(C=C1)OCCCCC(=O)OCC)CC | 3 |
[N+](=O)([O-])C.FC=1C=CC(=NC1)C=O>ClCCl.CCN(CC)CC>FC=1C=CC(=NC1)\C=C\[N+](=O)[O-] | 3 |
C(CCC)NC(C1=C(C=CC=C1)Cl)=O>C1CCCO1.Cl.B>C(CCC)NCC1=C(C=CC=C1)Cl | 3 |
C1(=CC=CC=C1)C1=CN=CS1>CC#N.BrN1C(CCC1=O)=O>BrC=1N=CSC1C1=CC=CC=C1 | 3 |
Br[CH2:2][CH2:3][CH3:4].[CH3:5][C:6]([CH:8]1[CH2:13][C:12]([CH3:15])([CH3:14])[CH2:11][CH2:10][CH2:9]1)=[O:7]>>[CH3:14][C:12]1([CH3:15])[CH2:11][CH2:10][CH2:9][CH:8]([C:6]([OH:7])([CH2:2][CH2:3][CH3:4])[CH3:5])[CH2:13]1 | 1 |
FC(C(=O)N(C)C1=CC(=C(C=C1)[N+](=O)[O-])I)F>O.[Fe].C(C)(C)O.[Cl-].[NH4+]>NC1=C(C=C(C=C1)N(C(C(F)F)=O)C)I | 3 |
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCCN(CCC1=CC(=CC=C1)Cl)C(=O)OC(C)(C)C.NC[C@H](O)C1=CC=C(C=2NC(SC21)=O)O>N(C)(C)C=O.CCN(CC)CC>ClC=1C=C(C=CC1)CCNCCCOCCNCC(O)C1=CC=C(C=2NC(SC21)=O)O | 3 |
[F:1][C:2]1[CH:9]=[CH:8][C:7]([CH:10]=O)=[CH:6][C:3]=1[C:4]#[N:5].[CH2:12]([O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[C:23]([O:25][Si](C)(C)C)=[CH2:24])[CH:13]([CH3:15])[CH3:14]>ClCCl.[Ti](Cl)(Cl)(Cl)Cl>[F:1][C:2]1[CH:9]=[CH:8][C:7](/[CH:10]=[CH:24]/[C:23]([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[O:16][CH... | 1 |
N1N=CC=C1.ClC1=NC=2N(C(=C1)C)C=NC2C(=O)NC(C)(C)C2CC2>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>C1(CC1)C(C)(C)NC(=O)C=1N=CN2C1N=C(C=C2C)N2N=CC=C2 | 3 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)OC(=O)C12C(=CC3C2(CC2C(CCC2C1(C3)C=O)C)COC31OC2C(O3)OC(C2OC(C)C)C1O)C(C)C>C(C)(=O)OCC.[Pd]C>C(C)(C)OC1C2OC3OC(OC31)(C2O)OCC23CC1C(CCC1C1(C3(C(=CC2C1)C(C)C)C(=O)O)C=O)C | 3 |
ClS(=O)(=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1>C(C)OCC.ClCCl.C(C)(=O)OCC.N>NS(=O)(=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
BrC1=NN(C2=NC(=NC(=C21)OC)Cl)C2OCCCC2>Cl.O1CCOCC1>BrC1=NNC2=NC(=NC(=C21)OC)Cl | 3 |
C1(CC1)CNC(=O)C=1C=CC2=C(C(NCC3=C2C2=C(N3C(C)C)N=CN=C2NCC2=C(C=C(C=C2)OC)OC)=O)C1>C(=O)(C(F)(F)F)O>NC1=NC=NC2=C1C=1C3=C(C(NCC1N2C(C)C)=O)C=C(C=C3)C(=O)NCC3CC3 | 3 |
C1(CCCC1)SC1=CC=C(C=O)C=C1>>C1(CCCC1)SC1=CC=C(C=C1)CO | 5 |
S1C(=CC=C1)CC(=O)Cl.NC1=C(C(=O)OC)C=CC(=C1)C1=NC(CC2=CC(=C3C(=C12)CC(O3)(C)C)OCC)(C)C>CN(C(C)=O)C>C(C)OC=1C=C2CC(N=C(C2=C2C1OC(C2)(C)C)C2=CC(=C(C(=O)OC)C=C2)NC(CC=2SC=CC2)=O)(C)C | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC(C(CNC1=CC=C(C=C1)F)(C)N)=O>>COC(=O)C1(NC(N(C1)C1=CC=C(C=C1)F)=O)C | 5 |
C1(CC1)N.N(N)C(=O)C1=CC=CC(=N1)NC(OCC1=CC=CC=C1)=O.C1(CC1)NC=O>>C1(CC1)N1C(=NN=C1)C1=CC=CC(=N1)NC(OCC1=CC=CC=C1)=O | 5 |
B.CO[B:4](OC)[C:5]1[C:10]([CH3:11])=[CH:9][C:8]([CH3:12])=[CH:7][C:6]=1[CH3:13].Br[C:17]1[S:18][C:19](Br)=[CH:20][N:21]=1.[Mg]>CO.CN(C)C=O.C1COCC1>[S:18]1[CH:19]=[CH:20][N:21]=[CH:17]1.[C:6]1([CH3:13])[CH:7]=[C:8]([CH3:12])[CH:9]=[C:10]([CH3:11])[C:5]=1[BH2:4] | 2 |
[N+](=O)([O-])C=1C=C2C=C(N(C2=CC1)CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1>CCO[H].C(C)(=O)OCC.[Pd].C(=O)[O-].[NH4+]>NC=1C=C2C=C(N(C2=CC1)CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1 | 3 |
CS(=O)(=O)Cl.OCC=1C=C(C(=O)OC)C=C(C1)C.CNCCCCC>ClCCl.CCN(CC)CC>CC=1C=C(C(=O)OC)C=C(C1)CN(CCCCC)C | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([S:12][CH3:13])=[N:9][C:10]=2I)[CH:7]=1.C([Mg]Cl)(C)C.[CH2:19]([Sn:23]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:25][CH2:26][CH2:27][CH3:28])Cl)[CH2:20][CH2:21][CH3:22]>C1COCC1>[F:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([S:12][CH3:13])=[N:9][C:10]=2[Sn:23]([CH2:25][CH2:26][CH2:27][... | 1 |
C1(CCCCC1)COC=1C=2N(C=CC1)C(=C(N2)C)C(=O)NCC(OC)OC>Cl.O1CCOCC1>C1(CCCCC1)COC=1C=2N(C=CC1)C(=C(N2)C)C(=O)NCC=O | 3 |
CC(C[AlH]CC(C)C)C.C1(C)C=CC=CC=1.[CH2:17]([O:19][C:20]1[CH:21]=[CH:22][C:23]([F:38])=[C:24]([C:26]2[CH:31]=[C:30]([O:32][CH3:33])[N:29]=[C:28]([C:34](OC)=[O:35])[CH:27]=2)[CH:25]=1)[CH3:18].CCO>C1COCC1>[CH2:17]([O:19][C:20]1[CH:21]=[CH:22][C:23]([F:38])=[C:24]([C:26]2[CH:31]=[C:30]([O:32][CH3:33])[N:29]=[C:28]([CH:34]=... | 1 |
Cl[C:2]1[CH:3]=[C:4]([NH:10][C:11]2[CH:21]=[CH:20][C:14]([C:15]([N:17]([CH3:19])[CH3:18])=[O:16])=[CH:13][N:12]=2)[C:5](=[O:9])[N:6]([CH3:8])[N:7]=1.[C:22]([O:25][CH2:26][C:27]1[C:32](B2OC(C)(C)C(C)(C)O2)=[CH:31][CH:30]=[CH:29][C:28]=1[N:42]1[N:51]=[CH:50][C:49]2[C:44](=[C:45]([F:56])[CH:46]=[C:47]([C:52]([CH3:55])([CH... | 1 |
Subsets and Splits
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