smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[N+](=O)([O-])C=1C(=NNC1)C(=O)O.FC(C1=CC=C(OC2=CC=C(/C(=N/O)/N)C=C2)C=C1)(F)F>C1(=CC=CC=C1)C.ClS(Cl)=O.c1ccncc1>[N+](=O)([O-])C=1C(=NNC1)C1=NC(=NO1)C1=CC=C(C=C1)OC1=CC=C(C=C1)C(F)(F)F | 3 |
[CH2:1]([O:3][C:4]([C:6]1[CH:37]=[CH:36][C:9]2[N:10]([CH:30]3[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]3)[C:11]([C:13]3[CH:14]=[C:15]4[C:20](=[CH:21][CH:22]=3)[NH:19][C:18]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:17][C:16]4=O)=[N:12][C:8]=2[CH:7]=1)=[O:5])[CH3:2].P(Cl)(Cl)([Cl:40])=O>>[CH2:1]([O:3][C:4]([C:6]... | 1 |
[C:1]([C:3]1[CH:4]=[N:5][C:6]2[CH:7]=[CH:8][C:9](=[O:32])[NH:10][C:11]=2[C:12]=1[CH2:13][CH:14]([C:16]12[CH2:23][CH2:22][C:19]([NH:24][C:25](=[O:31])[O:26][C:27]([CH3:30])([CH3:29])[CH3:28])([CH2:20][CH2:21]1)[CH2:18][O:17]2)[OH:15])#[N:2].Br[CH2:34][CH2:35][CH2:36][O:37][CH:38]1[CH2:43][CH2:42][CH2:41][CH2:40][O:39]1>... | 2 |
O[C@@H]1COCC1>C1(=CC=CC=C1)C.C(=O)(Cl)Cl>ClC(=O)O[C@@H]1COCC1 | 3 |
P(Cl)(Cl)([Cl:3])=O.CN([CH:9]=[O:10])C.[C:11]1(=O)[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH2:14][CH2:13][CH2:12]1.C([O-])(=O)C.[Na+]>ClC=C(Cl)Cl>[Cl:3][C:11]1[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH2:14][CH2:13][C:12]=1[CH:9]=[O:10] | 1 |
[Br:1][C:2]1[N:3]=[C:4](S(C)(=O)=O)[C:5]2[N:6]([C:8]([I:11])=[CH:9][N:10]=2)[CH:7]=1.[CH2:16]([NH2:20])[CH:17]([CH3:19])[CH3:18].O>CN1C(=O)CCC1>[Br:1][C:2]1[N:3]=[C:4]([NH:20][CH2:16][CH:17]([CH3:19])[CH3:18])[C:5]2[N:6]([C:8]([I:11])=[CH:9][N:10]=2)[CH:7]=1 | 1 |
O1CCN(CC1)C=C[N+](=O)[O-].NC=1C=C2CCCC2=CC1C(C1=C(C=CC=C1)Cl)=O>O.Cl.CC(=O)C>ClC1=C(C(=O)C2=C(C=C3CCCC3=C2)NC=C[N+](=O)[O-])C=CC=C1 | 3 |
C(C)(C)(C)[Si](O[C@@H](CO[Si](C)(C)C(C)(C)C)C1=CC=CC=C1)(C)C>>C(C)(C)(C)[Si](OC(CO)C1=CC=CC=C1)(C)C | 5 |
C(C)OC(=O)C=1C(=C(NC1)C1=CC=C(C=C1)F)C1=CC=NC=C1>>FC1=CC=C(C=C1)C=1NC=C(C1C1=CC=NC=C1)CO | 5 |
C[Si]([Si](C)(C)C)(C)C.BrC1=C(C=C(C(=C1)F)[N+](=O)[O-])F>O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>FC1=C(C=C(C(=C1)[N+](=O)[O-])F)[Si](C)(C)C | 3 |
Cl.NC1(CC1)C(=O)OCC.C(C)OC(=O)C1=C(N(C2=CC=C(C=C12)OC1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C=C1)OC(C)C)CC(=O)O>>C(C)OC(=O)C1=C(N(C2=CC=C(C=C12)OC1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C=C1)OC(C)C)CC(NC1(CC1)C(=O)OCC)=O | 5 |
C1(CC1)COC=1C=C(OC=2C=CC(=NC2)C#N)C=CC1>CCO[H].[OH-].[Na+]>C1(CC1)COC=1C=C(OC=2C=CC(=NC2)C(=O)O)C=CC1 | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[N+:13]([O-:15])=[O:14])[C:7]([OH:9])=O)([O-:3])=[O:2].CN(C=O)C.S(Cl)(Cl)=O.[NH:25]1[CH2:30][CH2:29][O:28][CH2:27][CH2:26]1>C1COCC1.O.CCCCCCC.C(OCC)(=O)C.C(N(CC)CC)C>[N+:1]([C:4]1[CH:5]=[C:6]([C:7]([N:25]2[CH2:30][CH2:29][O:28][CH2:27][CH2:26]2)=[O:9])[CH:10]=[CH:11][C:1... | 2 |
[C:1]1([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH:6]=[CH:5][C:4]([C:7]([N:9]2[CH2:13][C:12](=[N:14][O:15][CH3:16])[CH2:11][C@H:10]2[C:17](=[N:19][OH:20])[NH2:18])=[O:8])=[CH:3][CH:2]=1.[OH:27][CH:28]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:29](O)=O>>[CH3:16][O:15][N:14]=[C:12]1[CH2:11][C@@H:10... | 1 |
ClC=1N=C(C2=C(N1)C=CS2)Cl>>ClC=1N=C(C2=C(N1)C=CS2)OCC | 5 |
OCC1=CC=C(C=C1)NS(=O)(=O)C1=NC=CC=C1>ClCCl.c1ccncc1.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(=O)C1=CC=C(C=C1)NS(=O)(=O)C1=NC=CC=C1 | 3 |
[CH3:1][CH:2]([CH2:5][CH3:6])[CH2:3][OH:4].[OH-].C([N+](C[CH2:22][CH2:23][CH3:24])(CCCC)CCCC)CCC.[OH-].[Na+].Cl[CH:28]=CC>O>[CH3:28][C:23](=[CH2:22])[CH2:24][O:4][CH2:3][CH:2]([CH3:1])[CH2:5][CH3:6] | 1 |
ClC(CC(=O)OCC)=O.C(C1=CC=CC=C1)ONC1=C(C#N)C=CC=N1>>C(C1=CC=CC=C1)ON(C(CC(=O)OCC)=O)C1=NC=CC=C1C#N | 5 |
[CH:1]([NH:4]C(C)C)(C)C.C([Li])[CH2:9][CH2:10][CH3:11].[F:13][C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH:16]=[O:17].O>O1CCCC1>[F:13][C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH:16]([OH:17])[C:10]([CH3:9])([CH3:11])[C:1]#[N:4] | 1 |
[S:1]1[CH:5]=[CH:4][C:3]2[CH:6]=[CH:7][CH:8]=[CH:9][C:2]1=2.[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH:18]1[C:23](=[O:28])N(OC)C)=[O:16])([CH3:13])([CH3:12])[CH3:11]>>[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH:18]1[C:23]([C:5]1[S:1][C:2]2[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=2[CH:4]=1)... | 1 |
C(C)(C)(C)C=1N=C(SC1)C=1OC2=C(C1)C=C(C=C2)CC(C)(C(=O)OC)C>CO[H].[OH-].[Na+]>C(C)(C)(C)C=1N=C(SC1)C=1OC2=C(C1)C=C(C=C2)CC(C)(C)C(=O)O | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([N:14]3[CH2:18][CH2:17][C@@H:16]4[CH2:19][N:20]([CH3:22])[CH2:21][C@H:15]34)=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.[N:23]1[NH:24][C:25](=[O:29])[CH:26]=[CH:27][CH:28]=1.C(=O)([O-])[O-].[K+].[K+]>N1C2C(=CC=CC=2)C=CC=1.CCCCCC.[Cu]>[CH3:22][N:20]1[CH2:19][C@@H:16]2[C@@H:15]... | 2 |
[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([CH3:9])[CH:3]=1.Cl[C:11]([C:13]([O:20][CH3:21])([O:18][CH3:19])[C:14]([O:16][CH3:17])=[O:15])=[O:12].C(N(CC)CC)C>>[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][C:11](=[O:12])[C:13]([O:20][CH3:21])([O:18][CH3:19])[C:14]([O:16][CH3:17])=[O:15])=[C:4]([CH3:9])[CH:3]=1 | 1 |
C1(=NC=CC2=C1CCC2)NC(OC(C)(C)C)=O>CO[H].ClCCl.Cl.O1CCOCC1>C1(=NC=CC2=C1CCC2)N | 3 |
[F:1][C:2]1([F:36])[CH2:7][CH2:6][N:5]([C:8]2[S:9][C:10]([C:22]3[CH:27]=[CH:26][C:25]([N:28]4[CH2:33][CH2:32][S:31](=[O:35])(=[O:34])[CH2:30][CH2:29]4)=[CH:24][CH:23]=3)=[C:11]([C@@H:13]3[CH2:18][CH2:17][CH2:16][CH2:15][C@H:14]3[C:19]([OH:21])=O)[N:12]=2)[CH2:4][CH2:3]1.Cl.[NH2:38][C:39]1([C:42]#[N:43])[CH2:41][CH2:40]... | 2 |
OC=1C=C(C=O)C=CC1OC.CN(CCCN)C.ClC=1C=C2C(CC(OC2=CC1)(C(=O)OCC)O)=O>CO[H].CCO[H].C(C)(=O)O>ClC1=CC=2C(C3C(C(N(C3C3=CC(=C(C=C3)OC)O)CCCN(C)C)=O)(OC2C=C1)O)=O | 3 |
Cl.N=C(C)N.CC(C(=O)OC)C(=O)OC>CO[H].C[O-].[Na+]>CC1=NC(=C(C(=N1)O)C)O | 3 |
ClC1=C(C(=O)NC(NC=2C(=NC=CC2C(C)C)C(C)C)=O)C=C(C(=N1)Cl)F>[H-].[Na+].CN1C(CCC1)=O.[Cl-].[NH4+]>ClC=1C(=CC2=C(N(C(NC2=O)=O)C=2C(=NC=CC2C(C)C)C(C)C)N1)F | 3 |
C(OC)(OC)OC.C(C)(=O)C=1C=CC(=C(C1)CC(=O)OC)OCC1=CC=CC=C1>ClCCl.CCN(CC)CC.O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CO)O>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)C1(OCCO1)C)CC(=O)OC | 3 |
C(C=CC1=CC=CC=C1)=O.CC(C(C)=O)C>Cl.C([O-])([O-])=O.[Na+].[Na+]>C1(=CC=CC=C1)C=CC(C(C(C)=O)(C)C)Cl | 3 |
C(C1=CC=CC=C1)Br.OC1=C(C=C(C=O)C=C1)[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC1=C(C=C(C=O)C=C1)[N+](=O)[O-] | 3 |
BrC=1C=C(C=CC1)O.BrCC1=CC=C(C=C1)B(O)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C.[I-].[K+]>BrC=1C=C(OCC2=CC=C(C=C2)B(O)O)C=CC1 | 3 |
OC1=CC(=CC2=C1C(CO2)=O)O.COC1=CC=C(C=C1)C1=C2C(=CNC2=CC=C1)C=O>CCO[H].Cl>OC1=CC(=CC2=C1C(/C(/O2)=C/C2=CNC1=CC=CC(=C21)C2=CC=C(C=C2)OC)=O)O | 3 |
C[Mg]Cl.FC1=CC=C(C=C1)C=1OC=C(N1)C(CNC(C1=CC(=CC=C1)C1=NOC(=N1)C(F)(F)F)=O)=O>C1CCCO1>FC1=CC=C(C=C1)C=1OC=C(N1)C(CNC(C1=CC(=CC=C1)C1=NOC(=N1)C(F)(F)F)=O)(C)O | 3 |
COC(CC1C2=C(N(C(C3=C1C=CC=C3)=O)C)C=C(C=C2)C(=O)O)=O.FC(C(=O)O)(F)F.N1C(=NC2=C1C=CC=C2)CN>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C>N1C(=NC2=C1C=CC=C2)NCCCCCNC(=O)C=2C=CC1=C(N(C(C3=C(C1CC(=O)OC)C=CC=C3)=O)C)C2 | 3 |
FC=1C=CC(=NC1)C1=NN(C(=C1)C([2H])([2H])O)CC(C)(O)C>O.S(O)(O)(=O)=O.ClCCl.[OH-].[Na+]>FC=1C=CC(=NC1)C1=NN2C(C(OC(C2)(C)C)([2H])[2H])=C1 | 3 |
[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9](Cl)=[O:10])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].CN1CCN(C)C1=O.[CH3:22][C:23]([C:25]1[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=1)=[O:24].C(N(CC)CC)C>CCCCCC.C(OCC)(=O)C.C(Cl)(Cl)Cl>[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([O:24][C:23]([C:25]2[CH:30]=[CH:29][C:28]([O:31... | 1 |
C1(=CC=CC=C1)SC1=CC=CC=C1.FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)O)F.C1(=CC=CC=C1)S(=O)C1=CC=CC=C1>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>FC(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.C1(=CC=CC=C1)[S+](C1=CC=C(C=C1)SC1=CC=CC=C1)C1=CC=CC=C1 | 3 |
S(=O)(=O)(OC)OC.OC=1C(=CC2=CC=CC=C2C1)C(=O)O>O.C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC=1C(=CC2=CC=CC=C2C1)C(=O)OC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:17][C:18]([OH:20])=O)[C:5]2[C:6]([CH:16]=1)=[C:7]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[O:8][N:9]=2.[CH3:21][NH:22][CH3:23]>>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:17][C:18]([N:22]([CH3:23])[CH3:21])=[O:20])[C:5]2[C:6]([CH:16]=1)=[C:7]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[O:8][... | 1 |
C(=O)(OC(C)(C)C)NCCC(=O)O.NC1CCC(CC1)NC(OCC1=CC=CC=C1)=O>ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)OC(=O)NC1CCC(CC1)NC(CCNC(OC(C)(C)C)=O)=O | 3 |
C(C)OC1=C(C=CC(=C1)CO)C1=CC=C(C=C1)C(F)(F)F>ClCCl.[O-2].[Mn+2]>C(C)OC1=C(C=CC(=C1)C=O)C1=CC=C(C=C1)C(F)(F)F | 3 |
C1COCCN1>N1[C@H](C(=O)O)CCC1>C(=O)N1CCOCC1 | 3 |
[Cl:1][C:2]1[C:7]([B:8]2[O:12][C:11]([CH3:14])([CH3:13])[C:10]([CH3:16])([CH3:15])[O:9]2)=[CH:6][CH:5]=[CH:4][C:3]=1[OH:17].[C:18](=O)([O-])[O-].[K+].[K+].COS(OC)(=O)=O.Cl>CN(C=O)C>[Cl:1][C:2]1[C:3]([O:17][CH3:18])=[CH:4][CH:5]=[CH:6][C:7]=1[B:8]1[O:12][C:11]([CH3:13])([CH3:14])[C:10]([CH3:16])([CH3:15])[O:9]1 | 1 |
Br[CH:2]1[CH2:4][C:3]1([CH3:11])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.CC(C)([O-])C.[K+].C(OCC)C.O>CS(C)=O>[CH3:11][C:3]1([C:5]2[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=2)[CH:4]=[CH:2]1 | 1 |
FC1=CC2=C(C(=NO2)C2CCN(CC2)CCNC2=C(C(N(N=C2)C)=O)Cl)C=C1>CO[H].[HH].[Pd]>FC1=CC(=C(C=C1)C(=O)C1CCN(CC1)CCNC1=CC(N(N=C1)C)=O)O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:18][CH2:17][CH:16]([C:19]3[CH:20]=[C:21]([NH:25][C:26](=[O:30])[CH:27]([CH3:29])[CH3:28])[CH:22]=[CH:23][CH:24]=3)[CH2:15][CH2:14]2)=[CH:4][CH:3]=1.Cl.[C:33]1([NH:39]N)[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:... | 1 |
[N+:1]([C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:13]=1[N:12]=[C:11]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[CH:10]=[CH:9]2)([O-:3])=[O:2]>CO.[Pd]>[N+:1]([C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:13]=1[N:12]=[C:11]([C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)[CH:10]=[CH:9]2)([O-:3])=[O:2].[C:14]1([C:11]2[CH:10]=[CH:9][C:8]... | 1 |
[Br-].C[Mg+].CON(C(=O)C=1C=CC=2N(C1)C=CN2)C>O.C1CCCO1.CC1OCCC1>N=1C=CN2C1C=CC(=C2)C(C)=O | 3 |
ClC1=CC=C2C(=C1)NC(C21C(N(C(CC1C1=CC(=CC=C1)Cl)=O)CC(=O)F)C(=C)C)=O>>NC(=O)CN1C(C2(C(CC1=O)C1=CC(=CC=C1)Cl)C(NC1=CC(=CC=C12)Cl)=O)C(=C)C | 5 |
ClCC(=O)Cl.FC1=C(C=CC(=C1)[N+](=O)[O-])NC>>ClCC(=O)N(C)C1=C(C=C(C=C1)[N+](=O)[O-])F | 5 |
C(C)(C)N1CCNCC1.C(C)(C)(C)OC(=O)N1CC2=CC=C(C=C2CC1)Br>C1CCCO1.C(C)(=O)OCC.CC(C)(C)[O-].[Na+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>C(C)(C)N1CCN(CC1)C=1C=C2CCN(CC2=CC1)C(=O)OC(C)(C)C | 3 |
C1COCCN1.ClC=1C(=CC2=C(OCO2)C1)C(=O)O>>ClC=1C(=CC2=C(OCO2)C1)C(=O)N1CCOCC1 | 5 |
[OH:1][C:2]1[CH:7]=[C:6]([OH:8])[N:5]=[C:4]([C:9]([F:12])([F:11])[F:10])[C:3]=1[C:13]([O:15][CH2:16][CH3:17])=[O:14].C([O-])([O-])=O.[K+].[K+].[CH2:24](I)[CH3:25].[CH3:27][C:28](C)=O>>[CH2:27]([O:1][C:2]1[CH:7]=[C:6]([O:8][CH2:24][CH3:25])[N:5]=[C:4]([C:9]([F:12])([F:10])[F:11])[C:3]=1[C:13]([O:15][CH2:16][CH3:17])=[O:... | 1 |
[C:1]([C:3]1[N:4]([CH2:21][C:22](O)=[O:23])[C:5]([C:8]2[CH:9]=[CH:10][C:11]3[NH:16][C:15](=[O:17])[O:14][C:13]([CH3:19])([CH3:18])[C:12]=3[CH:20]=2)=[CH:6][CH:7]=1)#[N:2].[CH2:25]([O:27][C:28]1[CH:29]=[C:30]([CH2:36][CH2:37][NH2:38])[CH:31]=[CH:32][C:33]=1[O:34][CH3:35])[CH3:26].C(N(C(C)C)CC)(C)C.F[P-](F)(F)(F)(F)F.N1(... | 1 |
[NH2:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([OH:10])=O)=[CH:4][CH:3]=1.ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C.[CH2:33]([C:35](=[CH:40][CH3:41])[CH:36]=[CH:37][CH2:38][NH2:39])[CH3:34]>CN(C)C=O.CN(C)C1C=CN=CC=1.C(=O)([O-])O.[Na+]>[CH2:40]([C:35](=[CH:33][CH3:34])[CH:36]=[CH:37][CH2:38][NH:39][C:8]([C:5]1[CH:6]=[N:7][C:2]([NH2... | 1 |
O1CCN(CC1)C=1C=C(C=2N(C3=CC=C(C=C3SC2C1)N1CCCC1)C(=O)OC(C)(C)C)F>ClCCl>[Cl-].O1CCN(CC1)C=1C=C(C2=NC3=CC=C(C=C3[S+]=C2C1)N1CCCC1)F | 3 |
C1(=CC=C(C=C1)OC)Br.N1C=CC=C1>[Cu]I.CC(C)(C)[O-].[K+].CS(=O)C.N1(N=NC2=C1C=CC=C2)CO>COC1=CC=C(C=C1)N1C=CC=C1 | 3 |
Cl[Si:2]([CH2:10][Cl:11])([CH3:9])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[C:12]([OH:16])([CH3:15])([CH3:14])[CH3:13].C(N(CC)CC)C.N1C=CN=C1>CN(C)C=O.O>[Cl:11][CH2:10][Si:2]([O:16][C:12]([CH3:15])([CH3:14])[CH3:13])([CH3:9])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
[C:1]([O:5][C@@H:6]([C:10]1[C:19]([CH3:20])=[CH:18][C:17]2[C:12](=[CH:13][CH:14]=[C:15]([C:21]3[CH:26]=[CH:25][N:24]=CC=3)[CH:16]=2)[C:11]=1[C:27]1[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][CH:28]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].[N:34]1C=CC(B(O)O)=CC=1>>[C:1]([O:5][C@@H:6]([C:10]1[C:19]([CH3:20])=[CH:18][C:... | 1 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8](OS(C(F)(F)F)(=O)=O)=[C:7]([Cl:19])[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[Cl:20][C:21]1[CH:22]=[C:23]([CH2:28][CH2:29][NH2:30])[CH:24]=[CH:25][C:26]=1[Cl:27].CN([CH:34]=[O:35])C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1C=CC(P(C2C=CC=CC=2)CCCP(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[C:1]([C:5]1[CH:10]=[CH:9... | 1 |
[Na].[CH3:2][CH:3]([CH3:15])[CH2:4][C:5](=O)[CH2:6][C:7](=O)[C:8]([O:10][CH2:11][CH3:12])=[O:9].[CH3:16][NH:17][NH2:18].C(=O)([O-])[O-].[Na+].[Na+]>C(O)(=O)C>[CH2:4]([C:5]1[N:17]([CH3:16])[N:18]=[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH:6]=1)[CH:3]([CH3:15])[CH3:2] | 1 |
COC(C1=CC=C(C=C1)C#CC1=C(C=C(C=C1)OCC=1N(N=NC1C(C)C)C1=C(C=CC=C1Cl)Cl)C)=O>>ClC1=C(C(=CC=C1)Cl)N1N=NC(=C1COC1=CC(=C(C=C1)C#CC1=CC=C(C(=O)O)C=C1)C)C(C)C | 5 |
C1OCC12CN(C2)C2=CC=CC(=N2)C(=O)O>>C1OCC12CN(C2)C2=CC=CC(=N2)NC(OC(C)(C)C)=O | 5 |
[Br-].C[Mg+].BrC=1C=C(C=C(C1)C(F)(F)F)C(C)=O>C1CCCO1>BrC=1C=C(C=C(C1)C(F)(F)F)C(C)(C)O | 3 |
CC1CC2=C(CN1)SC(=N2)C(=O)[O-].[Li+]>>C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C=1SC=2CNC(CC2N1)C | 5 |
C(OCC[Si](C)(C)C)Cl.BrC1=CC2=C(NC(N(S2(=O)=O)C)=O)C=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=CC2=C(N(C(N(S2(=O)=O)C)=O)COCC[Si](C)(C)C)C=C1 | 3 |
FC(OC1=C(C=CC=C1)CC1=C(N=C2N1C=C(C(=C2)F)C=2C=NC(=NC2)N2CCN(CC2)C(=O)OC(C)(C)C)COC2=CC(=CC=C2)N2C(OCC2)=O)F>>Cl.FC(OC1=C(C=CC=C1)CC1=C(N=C2N1C=C(C(=C2)F)C=2C=NC(=NC2)N2CCNCC2)COC=2C=C(C=CC2)N2C(OCC2)=O)F | 5 |
[F:1][C:2]1[C:3]([N:19]2[C:28]3[C:23](=[C:24]([F:32])[C:25]([F:31])=[C:26]([F:30])[C:27]=3[F:29])[C:22](=[O:33])[C:21]([C:34]([O:36][CH2:37][CH3:38])=[O:35])=[CH:20]2)=[N:4][C:5]([NH:9]CC2C=CC(OC)=CC=2)=[C:6]([F:8])[CH:7]=1.FC(F)(F)C(O)=O>>[NH2:9][C:5]1[N:4]=[C:3]([N:19]2[C:28]3[C:23](=[C:24]([F:32])[C:25]([F:31])=[C:2... | 1 |
C(C)(C)I.COC(=O)[C@@H]1CC[C@H](CC1)O>C(C)(=O)OCC.[O-2].[Ag+].[Ag+]>C(C)(C)O[C@@H]1CC[C@H](CC1)C(=O)OC | 3 |
[Cl:1][C:2]1[C:15]2[CH2:14][CH2:13][C:12]3[NH:11][C:10](=O)[CH2:9][CH2:8][C:7]=3[C:6]=2[CH:5]=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].[OH-].[Na+]>O1CCCC1>[Cl:1][C:2]1[C:15]2[CH2:14][CH2:13][C:12]3[NH:11][CH2:10][CH2:9][CH2:8][C:7]=3[C:6]=2[CH:5]=[CH:4][CH:3]=1 | 1 |
C=1(C(=CC=CC1)S(=O)(=O)Cl)C.OCCC(C1=CC(=CC=C1)[N+](=O)[O-])NC(OC(C)(C)C)=O>ClCCl.CCN(CC)CC>CC1=CC=C(C=C1)S(=O)(=O)OCCC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C | 3 |
N(=[N+]=[N-])CC1=C(N=CS1)CC>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>Cl.C(C)C=1N=CSC1CN | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([O:10][CH:11]3[CH2:14][O:13][CH2:12]3)[N:7]([C:15]3[CH:20]=[CH:19][N:18]=[C:17]([NH2:21])[N:16]=3)[C:6]=2[CH:22]=1>COCCO>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([O:10][CH2:11][CH2:12][O:13][CH3:14])[N:7]([C:15]3[CH:20]=[CH:19][N:18]=[C:17]([NH2:21])[N:16]=3)[C:6]=2[CH:22]=1 | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)SCC1=NC=CC=C1>CCO[H].[Cl-].[Ca+2].[Cl-].[Fe]>N1=C(C=CC=C1)CSC1=CC=C(N)C=C1 | 3 |
[CH2:1]([O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:22]=[CH:21][C:14]([C:15](OCCC)=[O:16])=[CH:13][CH:12]=2)=[CH:7][CH:6]=1)[CH2:2][CH3:3].O.[NH2:24][NH2:25].O>C(O)C.O1CCCC1>[CH2:1]([O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:22]=[CH:21][C:14]([C:15]([NH:24][NH2:25])=[O:16])=[CH:13][CH:12]=2)=[CH:7][CH:6]=1)[CH2:2][CH3:3] | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][OH:15])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.N1C=CN=C1.[C:21]([Si:25]([CH3:28])([CH3:27])Cl)([CH3:24])([CH3:23])[CH3:22].O>O1CCCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][O:15][Si:25]([C:21]([CH3:24])([CH3:23])[CH3:22])([CH3:28])... | 1 |
[CH3:1][C:2]1([CH3:23])[CH2:6][C:5]2[C:7]([C:13]3[CH:18]=[CH:17][C:16]([C:19]([O:21]C)=[O:20])=[CH:15][CH:14]=3)=[CH:8][CH:9]=[C:10]([O:11][CH3:12])[C:4]=2[O:3]1.[OH-].[Na+]>C(O)C>[C:19]([C:16]1[CH:15]=[CH:14][C:13]([C:7]2[C:5]3[CH2:6][C:2]([CH3:1])([CH3:23])[O:3][C:4]=3[C:10]([O:11][CH3:12])=[CH:9][CH:8]=2)=[CH:18][CH... | 1 |
[C:1]([O:5][C:6](=[O:16])[NH:7][CH2:8][C:9]1[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.[CH3:24][S:25](Cl)(=[O:27])=[O:26].Cl>ClCCl.O>[C:1]([O:5][C:6](=[O:16])[NH:7][CH2:8][C:9]1[CH:10]=[CH:11][C:12]([NH:15][S:25]([CH3:24])(=[O:27])=[O:26])=[CH:13][CH:14]=1)([CH3:4])([CH3:2])[... | 1 |
[O-:1][CH2:2][CH3:3].[Na+].F[C:6]1[CH:11]=[CH:10][C:9]([S:12]([NH2:15])(=[O:14])=[O:13])=[CH:8][C:7]=1[N+:16]([O-:18])=[O:17].N(C1C=C(C=CC=1OC(F)(F)F)C(N)=O)C(N)=S>C1COCC1>[CH2:2]([O:1][C:6]1[CH:11]=[CH:10][C:9]([S:12]([NH2:15])(=[O:14])=[O:13])=[CH:8][C:7]=1[N+:16]([O-:18])=[O:17])[CH3:3] | 2 |
[CH2:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][N:2]1[C:11](=[O:16])[C:12]([F:15])([F:14])[F:13].[Al+3].[Cl-].[Cl-].[Cl-].[C:21](Cl)(=[O:23])[CH3:22]>C(=S)=S>[C:21]([C:8]1[CH:9]=[C:10]2[C:5]([CH2:4][CH2:3][N:2]([C:11](=[O:16])[C:12]([F:14])([F:15])[F:13])[CH2:1]2)=[CH:6][CH:7]=1)(=[O:23])[CH3:22] | 2 |
C(C)(C)(C)OC(=O)NC=1C(=CC=CC1)N.N1C=CC2=CC=C(C=C12)CN1CC(C1)=CC1=C(C=C(C(=O)O)C=C1)Cl>>N1C=CC2=CC=C(C=C12)CN1CC(C1)=CC1=C(C=C(C(=O)NC2=C(C=CC=C2)NC(OC(C)(C)C)=O)C=C1)Cl | 5 |
[NH2:1][S:2]([C:5]1[C:10]([O:11][CH3:12])=[CH:9][CH:8]=[C:7]([CH3:13])[C:6]=1[NH:14][C:15]([C:17]1[C:18](=[O:35])[N:19]([CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C:20]2[C:25]([C:26]=1[OH:27])=[CH:24][CH:23]=[CH:22][N:21]=2)=O)(=[O:4])=[O:3].NS(C1C=C(Br)C=CC=1NC(C1C(=O)N(CC2C=CC=CC=2)C2C(C=1O)=CC=CN=2)=O)(... | 1 |
FC(C1=CC=C(C=C1)B(O)O)(F)F.BrC1=C(SC=C1)C=O>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC(C1=CC=C(C=C1)C1=C(SC=C1)C=O)(F)F | 3 |
CN.O[C@H]1CN(CC[C@H]1NC1=NC=C(C=C1)C(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)C1=CC(=NC=C1)C(=O)OC>CCO[H]>O[C@H]1CN(CC[C@H]1NC1=NC=C(C=C1)C(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)C1=CC(=NC=C1)C(=O)NC | 3 |
C(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O>>C(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N | 5 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]([C:12]([CH:14]1[CH2:16][CH2:15]1)=[O:13])[C@@H:7]([CH3:17])[CH2:6][NH:5]2.ClC(Cl)C.N1C=CC=CC=1.Cl[C:29]([O:31][CH:32]([CH3:34])[CH3:33])=[O:30]>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]2[C:9]([N:8]([C:12]([CH:14]3[CH2:15][CH2:16]3)=[O:13])[C@@H:7]([CH3:17])[CH2:6][N:5]2[C:29]... | 1 |
C(C)(C)(C)OC(=O)N1[C@@H](CC1)COC=1C=NC=C(C1)[C@@H]1[C@H](C1)CCF>C(C)OCC.CO[H].Cl>Cl.N1[C@@H](CC1)COC=1C=NC=C(C1)[C@@H]1[C@H](C1)CCF | 3 |
[C-]#N.[Zn+2].[C-]#N.C(C)OC(=O)C1=C(N=C(S1)C1=CC2=CC=CC=C2C(=C1)Br)C>>C(C)OC(=O)C1=C(N=C(S1)C1=CC2=CC=CC=C2C(=C1)C#N)C | 5 |
[NH2:1][C:2]1[C:3]2[C:10]([C:11]3[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][CH:12]=3)=[CH:9][N:8]([CH:18]3[CH2:22][CH2:21][O:20][CH2:19]3)[C:4]=2[N:5]=[CH:6][N:7]=1.F[C:24]1[CH:31]=[CH:30][CH:29]=[C:28]([NH:32][CH2:33][CH2:34][C:35]2[CH:40]=[CH:39][N:38]=[CH:37][CH:36]=2)[C:25]=1[C:26]#[N:27].C(=O)([O-])[O-].[K+].[K+].CN(C... | 1 |
CN1N=CC(=C1)B(O)O.BrC1=NN2C(N=CC=C2C2=CC(=C(CNC(OC(C)(C)C)=O)C=C2)C)=C1>O.C([O-])([O-])=O.[K+].[K+].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]>CC1=C(CNC(OC(C)(C)C)=O)C=CC(=C1)C1=CC=NC=2N1N=C(C2)C=2C=NN(C2)C | 3 |
FC1=C(C=CC(=C1)F)S(=O)(=O)N(C)CCO>N(C)(C)C=O.[H-].[Na+]>FC=1C=CC2=C(OCCN(S2(=O)=O)C)C1 | 3 |
CS(=O)C.C(C)O.CC1=NN(C=2N=CNC(C21)=O)C2=CC(=C(C#N)C=C2)NC2CCOCC2>O(O[H])[H].O.[OH-].[Na+]>CC1=NN(C=2N=CNC(C21)=O)C2=CC(=C(C(=O)N)C=C2)NC2CCOCC2 | 3 |
CS(=O)[O-].[Na+].BrCCCCCCCCCCCC(=O)OC>CO[H].[I-].[Na+]>CS(=O)(=O)CCCCCCCCCCCC(=O)OC | 3 |
C(C1=CC=CC=C1)(=O)Cl.C(C)(C)(C)C=1N=C2N(C=CC(=C2)C(=O)NN)C1CC1CCCCC1>>C(C1=CC=CC=C1)(=O)NNC(=O)C1=CC=2N(C=C1)C(=C(N2)C(C)(C)C)CC2CCCCC2 | 5 |
[CH:1]1([C:4](=O)[CH2:5][C:6]([O:8][CH3:9])=[O:7])[CH2:3][CH2:2]1.CS(O)(=O)=O.[NH2:16][C:17]1[CH:31]=[CH:30][CH:29]=[CH:28][C:18]=1[C:19]([C:21]1[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=1)=O>CC(O)C>[CH:1]1([C:4]2[C:5]([C:6]([O:8][CH3:9])=[O:7])=[C:19]([C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=3)[C:18]3[C:... | 1 |
NC1=NC=C(C=C1F)F.ClC1=NC=C(C(=O)NOCC)C(=C1)NC1=C(C(=CC=C1)C1=NC=CC=N1)OC>O1CCOCC1.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+]>FC=1C... | 3 |
ClCC(=O)OCC>CC#N.O.[N-]=[N+]=[N-].[Na+]>C(C)OC(CN=[N+]=[N-])=O | 3 |
C1(=CC=CC=C1)[C@H](C)N.C(C1=CC=CC=C1)OC1C(CCC(C1)(F)F)=O>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C1=CC=CC=C1)OC1C(CCC(C1)(F)F)N[C@@H](C)C1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([CH2:30][CH2:31]OS(C)(=O)=O)[CH2:13][N:12]([CH2:14][C:15]3[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[C:17]([C:25]([F:28])([F:27])[F:26])[CH:16]=3)[C:11](=[O:29])[CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8].[OH:37][C:38]1([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[CH2:43][CH2:42][N... | 1 |
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