smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC=1C=CC(=C(N)C1)C.[N-]=C=S.[NH4+]>>ClC=1C=CC(=C(C1)NC(=S)N)C | 3 |
BrCC(=O)OC(C)(C)C.ClC=1C=CC2=C(C1)C=1C(=CNC(C1)=O)COC(C2)CC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC=1C=CC2=C(C1)C=1C(=CN(C(C1)=O)CC(=O)OC(C)(C)C)COC(C2)CC | 3 |
[N:1]1[N:2]([CH2:6][C:7]2[CH:14]=[CH:13][C:10]([CH:11]=O)=[CH:9][CH:8]=2)[N:3]=[CH:4][CH:5]=1.[NH2:15][C:16]1[N:17]=[N:18][C:19]([CH3:22])=[CH:20][CH:21]=1.C([O:25][C:26](=O)[C:27]([OH:42])=[CH:28][C:29](=[O:41])[C:30]1[CH:35]=[CH:34][C:33]([O:36][C:37]([F:40])([F:39])[F:38])=[CH:32][CH:31]=1)C>>[OH:42][C:27]1[C:26](=[... | 2 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[S:10][CH:11]=[C:12]([CH3:14])[N:13]=2)=[CH:4][C:3]=1[OH:15].C([O-])([O-])=O.[K+].[K+].Br[CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26]>CC(C)=O>[CH3:14][C:12]1[N:13]=[C:9]([NH:8][C:5]2[CH:6]=[CH:7][C:2]([CH3:1])=[C:3]([O:15][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])[CH:4]=2)[S:10][C... | 1 |
C[O:2][C:3](=[O:22])[C:4]1[CH:9]=[C:8]([C:10]2[CH2:15][CH2:14][CH2:13][CH2:12][CH:11]=2)[C:7]([O:16][CH2:17][C:18]([F:21])([F:20])[F:19])=[N:6][CH:5]=1.C1COCC1.O.[OH-].[Li+].Cl>O>[C:10]1([C:8]2[C:7]([O:16][CH2:17][C:18]([F:21])([F:19])[F:20])=[N:6][CH:5]=[C:4]([CH:9]=2)[C:3]([OH:22])=[O:2])[CH2:15][CH2:14][CH2:13][CH2:... | 1 |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH:6]=O.C(O)(=O)[CH2:14][C:15]([OH:17])=[O:16].N1CCCCC1.Cl>N1C=CC=CC=1>[F:1][C:2]([F:12])([F:11])[C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH:6]=[CH:14][C:15]([OH:17])=[O:16] | 1 |
C(C=C)I.C(C=C)N1C=NC=C1>>[I-].C(C=C)[N+]1=CN(C=C1)CC=C | 5 |
BrCC=1SC(=CN1)C=1OC(=NN1)C(F)F.N1C2=C(CCCC1=O)C=NC=C2>N(C)(C)C=O.[H-].[Na+]>FC(C1=NN=C(O1)C1=CN=C(S1)CN1C2=C(CCCC1=O)C=NC=C2)F | 3 |
C1(=CC=CC=C1)[C@H](C)NC1=C(CCOC1)C(=O)OCC.CCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O>C1CCCO1.CCO[H].C(C)(=O)O>C1(=CC=CC=C1)[C@H](C)N[C@H]1COCC[C@H]1C(=O)OCC | 3 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]([C:14](OCC)=[O:15])=[CH:12][N:11]=[CH:10]2)=[CH:5][CH:4]=1)[CH3:2].[H-].[Al+3].[Li+].[H-].[H-].[H-].C(C(C(C([O-])=O)O)O)([O-])=O.[K+].[K+]>O1CCCC1>[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([N:9]2[C:13]([CH2:14][OH:15])=[CH:12][N:11]=[CH:10]2)=[CH:7][CH:8]=1)[CH3:2] | 1 |
COC(CCC(CO)CO)OC>C1CCCO1.Cl>COC1OCC(CC1)CO | 3 |
[N+:1]([C:4]1[CH:11]=[CH:10][CH:9]=[CH:8][C:5]=1[CH:6]=O)([O-:3])=[O:2].[CH3:12][C:13]1[N:14]=[N:15][CH:16]=[CH:17][CH:18]=1.N1C=CC=NC=1.N1C=CN=CC=1.N1C=CC=CN=1.C(OC(=O)C)(=O)C>C(O)=O>[N+:1]([C:4]1[CH:11]=[CH:10][CH:9]=[CH:8][C:5]=1[CH:6]=[CH:12][C:13]1[N:14]=[N:15][CH:16]=[CH:17][CH:18]=1)([O-:3])=[O:2] | 1 |
CC1(C(NCCC1)=O)C.BrC=1C=C2C(=CC=NC2=CC1)C(=O)OC(C)(C)C>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].C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CC1(C(N(CCC1)C=1C=C2C(=CC=NC2=CC1)C(=O)OC(C)(C)C)=O)C | 3 |
ClC1=C(C=CC=C1)CC(=O)O.NC=1C=CC(=C(C1)S(=O)(=O)N)C=1C=NN(C1)C(C)(C)C>N(C)(C)C=O.O.ClCCl.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>C(C)(C)(C)N1N=CC(=C1)C1=C(C=C(C=C1)NC(CC1=C(C=CC=C1)Cl)=O)S(N)(=O)=O | 3 |
CN1CCNCC1.C(C)(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)N(CC(C)C)C(=O)C=1C(=NC(=NC1)C(C)(C)C)NCCCOC)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(C)(C)(C)C1=NC=C(C(=N1)NCCCOC)C(=O)N([C@@H]1CN(C[C@@H](C1)C(=O)N1CCN(CC1)C)C(=O)OC(C)(C)C)CC(C)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[O:13][C:12]([C:14]3[CH2:18][CH2:17][C:16](=O)[CH:15]=3)=[CH:11][CH:10]=2)=[CH:4][CH:3]=1.Cl.[NH2:21][OH:22]>CCO.N1C=CC=CC=1>[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[O:13][C:12]([C:14]3[CH2:18][CH2:17][C:16](=[N:21][OH:22])[CH:15]=3)=[CH:11][CH:10]=2)=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[Cl:10])[C:5]#[N:6].Cl.[NH2:12][OH:13].[OH-].[Na+]>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[Cl:10])/[C:5](=[N:12]/[OH:13])/[NH2:6] | 1 |
COC1=CC=C(CN(S(=O)(=O)C2=NN3C(C(C(CC3)C(=O)OC)=O)=C2)CC2=CC=C(C=C2)OC)C=C1.COC1=CC=C(CN(S(=O)(=O)C2=NN3C(C(C(CC3)C(=O)OCC)=O)=C2)CC2=CC=C(C=C2)OC)C=C1>O.C(C)(=O)OCC.CS(=O)C.[Cl-].[Li+]>COC1=CC=C(CN(S(=O)(=O)C2=NN3C(C(CCC3)=O)=C2)CC2=CC=C(C=C2)OC)C=C1 | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([C:10]([F:13])([F:12])[F:11])=[CH:7][C:6]=2[CH:14]=1.C([Li])CCC.CN(C)[CH:22]=[O:23].[Cl-].[NH4+]>C(OCC)(=O)C.O1CCCC1>[F:11][C:10]([F:13])([F:12])[C:8]1[O:9][C:5]2[CH:4]=[CH:3][C:2]([CH:22]=[O:23])=[CH:14][C:6]=2[CH:7]=1 | 1 |
[Br-].CC=1N=[N+](C=CC1C(NC)=O)CCC(=O)OCC>Cl>FC(C(=O)[O-])(F)F.CC=1N=[N+](C=CC1C(NC)=O)CCC(=O)O | 3 |
BrCC(=O)O.ClC1=CC=C(CNC(=O)C=2C(=C3C(=NC2)SC(=C3)C#CCO)O)C=C1>>ClC1=CC=C(CNC(=O)C=2C(C3=C(N(C2)CC(=O)O)SC(=C3)C#CCO)=O)C=C1 | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.O1C=NC=C1>C1CCCO1.CCO[H].C(CCC)[Li].C(C)(=O)O.B.C1CCOC1>C(C)(C)(C)OC(=O)N1CCC(CC1)(C=1OC=CN1)O | 3 |
[CH3:1][C:2]1([CH3:23])[O:6][CH:5]([C:7]2[N:12]=[CH:11][C:10]([NH:13][C:14](=[O:22])OC3C=CC=CC=3)=[CH:9][CH:8]=2)[CH2:4][O:3]1.[Cl:24][C:25]1[CH:26]=[C:27]([N:31]2[C:35]([CH2:36][NH2:37])=[CH:34][C:33]([C:38]([F:41])([F:40])[F:39])=[N:32]2)[CH:28]=[CH:29][CH:30]=1>C(#N)C.CN(C)C1C=CN=CC=1>[Cl:24][C:25]1[CH:26]=[C:27]([N... | 2 |
[CH3:1][O:2][CH2:3][C@@H:4]([NH:6][C:7]([C:9]1[C:17]2[C:12](=[N:13][CH:14]=[C:15]([C:18]3[C:26]4[C:21](=[CH:22][C:23]([F:27])=[CH:24][CH:25]=4)[N:20]([CH2:28][C:29]4[CH:30]=[N:31][C:32]([N:35]5[CH2:40][CH2:39][O:38][CH2:37][CH2:36]5)=[CH:33][CH:34]=4)[N:19]=3)[N:16]=2)[N:11](COCC[Si](C)(C)C)[CH:10]=1)=[O:8])[CH3:5].FC(... | 1 |
Br[C:2]1[CH:3]=[C:4]([NH:8][CH:9]2[CH2:14][CH2:13][CH:12]([NH:15][C:16]3[C:25]4[C:20](=[CH:21][C:22]([Cl:26])=[CH:23][CH:24]=4)[N:19]=[CH:18][CH:17]=3)[CH2:11][CH2:10]2)[CH:5]=[N:6][CH:7]=1.C[O-].[Na+].[C:30]1(B(O)O)[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1>C1COCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=... | 1 |
CNC1CCN(C1)C.FC1=CC=CC=2N1C=C(N2)CN([C@H]2CCOC=1C2=NC=CC1)C>>CN(C1CCOC=2C1=NC=CC2)CC=2N=C1N(C(=CC=C1)N(C1CN(CC1)C)C)C2 | 5 |
CC1=CC=C(C=C1)CC(=O)O.BrC=1C=C(C(=CC1)N(CC(C)C)CC(C)C)N>>BrC=1C=CC(=C(C1)NC(CC1=CC=C(C=C1)C)=O)N(CC(C)C)CC(C)C | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12]N(C2C=CC(Br)=CC=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH:21][CH:22]1CCNCC1>>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:22]([OH:21])[CH2:12][CH2:13]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)Cl.ClC=1C=CC2=C([C@H](O[C@@H](C=3N2C=CC3)CCO)C3=C(C(=CC=C3)OC)OC)C1>c1cnc[nH]1.ClCCl>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC[C@@H]1C=2N(C3=C([C@H](O1)C1=C(C(=CC=C1)OC)OC)C=C(C=C3)Cl)C=CC2 | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH:7]2[CH2:11][CH2:10][N:9]([C:12]([N:14]3[C:23]4[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=4)[NH:17][CH2:16][CH2:15]3)=[O:13])[CH2:8]2)[CH:2]=1.[CH:24]([N:27]([CH:30](C)C)[CH2:28]C)(C)C.ClC(Cl)([O:36]C(=O)OC(Cl)(Cl)Cl)Cl.CNC>O1CCCC1.O.ClCCl>[CH3:24][N:27]([CH3:30])[C:28]([N:17]1[C:18]2[C:23... | 1 |
N[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[C:4]([CH3:14])[CH:3]=1.N(OCCC(C)C)=O.[I:23]CI>>[I:23][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[C:4]([CH3:14])[CH:3]=1 | 1 |
CN(CCN1N=CC2=CC(=CC=C12)OC1=C(C#N)C=C(C=C1)F)C>>NCC1=C(OC=2C=C3C=NN(C3=CC2)CCN(C)C)C=CC(=C1)F | 5 |
C(C)(=O)O.C(C)(=O)OCC.C(C)OC(=O)C1=C(C=C2C=NN(C2=C1)C1OCCCC1)OC1=C(C=C(C=C1)[N+](=O)[O-])F>>FC1=C(OC=2C=C3C=NN(C3=CC2C(=O)O)C2OCCCC2)C=CC(=C1)[N+](=O)[O-] | 5 |
[CH2:1]([N:6]=[C:7]=[N:8][C:9]1[CH:10]=[N:11][CH:12]=[CH:13][CH:14]=1)[CH2:2][CH2:3][CH2:4][CH3:5].C([N:19]=[C:20]=[N:21]C1C=NC=CC=1)(C)(C)C>>[C:20]([N:21]=[C:7]([NH:8][C:9]1[CH:10]=[N:11][CH:12]=[CH:13][CH:14]=1)[NH:6][CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])#[N:19] | 1 |
[N:1]1([C:9]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:10])[CH2:8][CH2:7][CH2:6][C@H:2]1[C:3]([OH:5])=O.[NH:19]1[CH2:27][CH2:26][CH2:25][C@H:20]1[C:21]([O:23][CH3:24])=[O:22].Cl>C(Cl)Cl>[N:1]1([C:9]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:10])[CH2:8][CH2:7][CH2:6][C@H:2]1... | 1 |
Br[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([N+:11]([O-:13])=[O:12])[CH:3]=1.[CH3:14][C:15]1[CH:20]=[CH:19][C:18](OB(O)O)=[CH:17][CH:16]=1>>[CH3:14][C:15]1[CH:20]=[CH:19][C:18]([C:2]2[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([N+:11]([O-:13])=[O:12])[CH:3]=2)=[CH:17][CH:16]=1 | 2 |
ClC1=NC=CC(=C1O)[N+](=O)[O-]>[Fe].C(C)(=O)O>NC1=C(C(=NC=C1)Cl)O | 3 |
[NH2:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:19][O:20]CC)[N:14]([CH2:15][CH:16]([CH3:18])[CH3:17])[C:10]=2[C:9]2[N:8]=[CH:7][C:6]([N:23]3[CH2:27][CH2:26][CH2:25][C:24]3=[O:28])=[CH:5][C:4]=2[N:3]=1.B(Br)(Br)Br.Cl.[OH-].[Na+]>ClCCl>[NH2:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:19][OH:20])[N:14]([CH2:15][CH:16]([CH3:18])[CH3:17])[C:1... | 1 |
[CH2:1]([P:4](=[O:10])([CH2:7][CH2:8][CH3:9])[CH2:5][OH:6])[CH2:2][CH3:3].[C:11]1([CH3:21])[CH:16]=[CH:15][C:14]([S:17](Cl)(=[O:19])=[O:18])=[CH:13][CH:12]=1.C(N(CC)CC)C>CCOCC>[CH3:21][C:11]1[CH:16]=[CH:15][C:14]([S:17]([O:6][CH2:5][P:4]([CH2:7][CH2:8][CH3:9])([CH2:1][CH2:2][CH3:3])=[O:10])(=[O:19])=[O:18])=[CH:13][CH:... | 1 |
S(=O)(=O)(N)N.C1(=CC=CC=C1)NC1=CC=C2C=CC=NC2=C1N>>C1(=CC=CC=C1)N1S(NC=2C1=C1N=CC=CC1=CC2)(=O)=O | 5 |
NC=1C(=CC2=CC=CC=C2C1)C(=O)NC1(CCCCC1)C(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>NC=1C(=CC2=CC=CC=C2C1)C(=O)NC1(CCCCC1)C(=O)O | 3 |
FC=1C=CC(=C(C(=O)OC)C1)OCC#CC1=CC=C(C=C1)C(F)(F)F>O.CO[H].[OH-].[Li+]>FC=1C=CC(=C(C(=O)O)C1)OCC#CC1=CC=C(C=C1)C(F)(F)F | 3 |
O1CCOC12CCC(CC2)N2C=1N(C(=C(C2=O)CC2=C(C=C(C=C2)C2=C(C=CC=C2)C2=NOC(N2)=O)F)CCC)N=C(N1)C>>FC=1C=C(C=CC1CC=1C(N(C=2N(C1CCC)N=C(N2)C)C2CCC(CC2)=O)=O)C2=C(C=CC=C2)C2=NOC(N2)=O | 5 |
C12(CC3CC(CC(C1)C3)C2)C(COC2=NNC(=C2)C2=CC=C(C=C2)[C@@H]2CC[C@H](CC2)CC(=O)OCC)O>>C12(CC3CC(CC(C1)C3)C2)C(COC2=NNC(=C2)C2=CC=C(C=C2)[C@@H]2CC[C@H](CC2)CC(=O)O)O | 5 |
CI.C1(CC1)CN1[C@H]2[C@@]3(CCC([C@H]4[C@@]3(C=3C(=C(C=CC3C2)OCOC)O4)CC1)N1C(C=4C(C1=O)=C(C=CC4)O)=O)O>>C1(CC1)CN1[C@H]2[C@@]3(CC[C@H]([C@H]4[C@@]3(C=3C(=C(C=CC3C2)OCOC)O4)CC1)N1C(C=4C(C1=O)=C(C=CC4)OC)=O)O | 5 |
OC(CN(C(CNC(OC(C)(C)C)=O)=O)C(COC)C)C(C1=CC=CC=C1)C1=CC=CC=C1>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>COCC(C)N(C(CNC(OC(C)(C)C)=O)=O)CC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O | 3 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:16]#[N:17].[CH3:18][C:19]1[NH:20][C:21]2[CH:27]=[C:26]([NH2:28])[CH:25]=[CH:24][C:22]=2[N:23]=1.Cl.N1C=CC=CC=1>C(OCCO)C>[CH3:13][O:12][C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][C:8]=1[O:14][CH3:15])[N:5]=[CH:4][C:3]([C:16]#[N... | 1 |
OCCC(C)=O>N(C)(C)C=O.ClCCl.ClS(Cl)=O.[Cl-].[NH4+]>ClCCC(C)=O | 3 |
[NH:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]([O:8][CH2:9][CH3:10])=[O:7].[Br:11]N1C(=O)CCC1=O.O.C(OCC)(=O)C>O1CCCC1.CO>[Br:11][C:5]1[NH:1][C:2]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:3][CH:4]=1 | 1 |
ClC1=CC=C(N)C=C1.BrC=1C(=NC=C(C1)[N+](=O)[O-])Cl>>BrC=1C(=NC=C(C1)[N+](=O)[O-])NC1=CC=C(C=C1)Cl | 5 |
C(C)N(C(OCC(C(C1=C(C=CC(=C1)F)F)SC1=CC=C(C=C1)Cl)C)=O)CC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)N(C(OCC(C(C1=C(C=CC(=C1)F)F)S(=O)C1=CC=C(C=C1)Cl)C)=O)CC | 3 |
COCC=1NC(=CN1)C=1C(=CC(=C(C(=O)OC)C1)C)C>>ClC=1N=C(NC1C=1C(=CC(=C(C(=O)OC)C1)C)C)COC | 5 |
CC1=NOC(=C1)CC(=O)O.NC1=C(C=C(C(=C1)Cl)C1=CC=C(C=C1)N(C)C)C(=O)OC>>ClC1=CC(=C(C=C1C1=CC=C(C=C1)N(C)C)C(=O)OC)NC(CC1=CC(=NO1)C)=O | 5 |
BrC=1C=C2C=CC(=CC2=CC1)O.C1=CC(=C2C=CC=C3C4=CC=CC=C4C1=C23)B(O)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>C1=CC(=C2C=CC=C3C4=CC=CC=C4C1=C23)C=2C=C3C=CC(=CC3=CC2)O | 3 |
C(C)(=O)OC[C@H]1O[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1N=[N+]=[N-])OC(C)=O)OC(C)=O)CN=[N+]=[N-])OC(C)=O)SC1=CC=C(C=C1)C>BrN1C(CCC1=O)=O.CC(=O)C.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C)(=O)OC[C@H]1OC([C@@H]([C@@H]1O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1N=[N+]=[N-])OC(C)=O)OC(C)=O)CN=[N+]=[N-])OC(C... | 3 |
[H-].[Na+].[CH:3]1[C:13]2[CH2:12][O:11][C:10]3[CH:14]=[CH:15][CH:16]=[CH:17][C:9]=3[NH:8][C:7]=2[CH:6]=[CH:5][CH:4]=1.Cl[C@H:19]1[CH2:24][CH2:23][CH2:22][N:21]([CH2:25][CH2:26][C:27]2[CH:32]=[CH:31][C:30]([C:33]#[N:34])=[CH:29][CH:28]=2)[CH2:20]1>CS(C)=O>[C:33]([C:30]1[CH:29]=[CH:28][C:27]([CH2:26][CH2:25][N:21]2[CH2:2... | 1 |
OC1CCN(CC1)C.ClC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)O)C=C1)F>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OCC)C(=O)OCC>ClC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)OC2CCN(CC2)C)C=C1)F | 3 |
NC=1C=C(C=NC1)C#N.ClC1=CC=C(C=N1)C1=CC=C(C(=O)N(C)C)C=C1>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(#N)C=1C=C(C=NC1)NC1=CC=C(C=N1)C1=CC=C(C(=O)N(C)C)C=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:38][CH:39]([F:41])[F:40])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:33][CH:34]([CH3:36])[CH3:35])[C:17]([NH:19][C:20]3[CH:32]=[CH:31][C:23]([C:24]([O:26]C(C)(C)C)=[O:25])=[CH:22][CH:21]=3)=[O:18])[C:10](=[O:37])[CH:9]=2)[CH:7]=1.C(O)(C(F)(F)F)=O>>[Cl:1][C:2]1[CH:3]=... | 1 |
COC1=CC=C(C=C1)CN1N=C(C=C1C1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2)NC(C2=CC=C(C=C2)OC(F)(F)F)=O>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>N1C(=NC2=C1C=CC=C2)C2=CC(=NN2)NC(C2=CC=C(C=C2)OC(F)(F)F)=O | 3 |
C(C)(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H]2OC(O[C@@H]21)(C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)(C)(C)[Si](C)(C)OC[C@H]1[C@@H]2[C@H]([C@H]3[C@@H]1OC(O3)(C)C)O2 | 3 |
[Si:1]([O:8][CH2:9][C@H:10]1[CH2:19][C:18]2[C:13](=[CH:14][CH:15]=[CH:16][C:17]=2/[CH:20]=[CH:21]/[C:22]([O:24][CH2:25][CH3:26])=[O:23])[C@H:12]([CH3:27])[N:11]1[C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2]>[Pd].C(O)C>[Si:1]([O:8][CH2:9][C@H:10]1[CH2:19][C:18]2... | 1 |
COC(CBr)OC.OCCCC=C>>C(CCC=C)OCC=O.COC(COCCCC=C)OC | 5 |
C[O:2][C:3]1[N:8]=[N:7][C:6]([C:9]([O:11][CH3:12])=[O:10])=[CH:5][CH:4]=1.C[Si](Cl)(C)C>C(#N)C>[O:2]=[C:3]1[NH:8][N:7]=[C:6]([C:9]([O:11][CH3:12])=[O:10])[CH:5]=[CH:4]1 | 2 |
C[O:2][C:3]([C:5]1[C:6]([C:24]2[CH:29]=[CH:28][C:27]([C:30]([OH:32])=O)=[CH:26][CH:25]=2)=[CH:7][CH:8]=[C:9]([C:11]2[S:12][CH:13]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([Cl:22])=[C:18]([Cl:23])[CH:17]=3)[N:15]=2)[CH:10]=1)=[O:4].[NH2:33][CH:34]1[CH2:39][CH2:38][N:37]([CH3:40])[CH2:36][CH2:35]1>>[Cl:23][C:18]1[CH:17]=[C:16... | 1 |
Cl[Si](C)(C)C.BrC1=CC=C(C=C1)N1N=C(C=2C1=C(N=CC2)OC)C2CCCC2>CC#N.[I-].[Na+]>BrC1=CC=C(C=C1)N1N=C(C2=C1C(NC=C2)=O)C2CCCC2 | 3 |
C(C1C=C2C(=CC=1)NC(=O)/C/2=C\C1NC=CC=1)#C.[CH3:19][O:20][C:21]1[CH:25]=[CH:24][NH:23][C:22]=1/[CH:26]=[C:27]1\[C:28](=[O:42])[NH:29][C:30]2[C:35]\1=[CH:34][C:33]([C:36]#[C:37][Si](C)(C)C)=[CH:32][CH:31]=2.[C-]#N.[K+]>C(O)C.O1CCCC1.O.[N+]([O-])([O-])=O.[Ag+]>[C:36]([C:33]1[CH:34]=[C:35]2[C:30](=[CH:31][CH:32]=1)[NH:29][... | 1 |
N(=C=O)CC(=O)OCC.C1(CCCCC1)NC(=O)C1=CN(C(C=C1O)=O)C1CCCCC1>>C1(CCCCC1)N1C(C(=C(C(=C1)C(=O)NC1CCCCC1)O)C(=O)NCC(=O)O)=O | 5 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[C:4]([N+:9]([O-])=O)[C:3]=1[OH:12].[CH3:13]OS(OC)(=O)=O.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[Cl:1][C:2]1[C:3]([O:12][CH3:13])=[C:4]([NH2:9])[CH:5]=[C:6]([Cl:8])[CH:7]=1 | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]([CH3:12])[C:9](Cl)=[O:10])=[CH:4][CH:3]=1.[OH:13][C:14]1[N:19]=[CH:18][C:17]([N:20]2[C:25](=[O:26])[CH2:24][C:23]([CH3:28])([CH3:27])[CH2:22][C:21]2=[O:29])=[CH:16][CH:15]=1.N12CCN(CC1)CC2>ClCCl.CN(C)C=O>[CH3:28][C:23]1([CH3:27])[CH2:24][C:25](=[O:26])[N:20]([C:17]2[CH:18]=[N:19][C:... | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([OH:29])[CH2:9][CH2:10][N:11]2[CH2:16][CH2:15][CH:14]([C:17]3[CH:18]=[C:19]([NH:23][C:24](=[O:28])[CH:25]([CH3:27])[CH3:26])[CH:20]=[CH:21][CH:22]=3)[CH2:13][CH2:12]2)=[CH:4][CH:3]=1.O[C:31]1[CH:40]=[CH:39][C:34]([C:35]([O:37][CH3:38])=[O:36])=[CH:33][CH:32]=1>>[Br:1][C:2]1[CH:3]=[... | 1 |
FC(F)(F)S(O[C:7]1[CH:12]=[CH:11][N:10]=[C:9]2[NH:13][C:14]3[C:19]([C:8]=12)=[CH:18][C:17]([O:20][S:21]([C:24]([F:27])([F:26])[F:25])(=[O:23])=[O:22])=[N:16][CH:15]=3)(=O)=O.[CH3:30][N:31]([CH3:52])[CH2:32][CH2:33][NH:34][C:35](=[O:51])[C:36]1[CH:41]=[CH:40][C:39](B2OC(C)(C)C(C)(C)O2)=[CH:38][CH:37]=1.C(=O)([O-])[O-].[C... | 2 |
[C:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[C:9]([CH3:14])([CH3:13])[CH2:8][CH2:7][C:6]2([CH3:16])[CH3:15])#[CH:2].[CH:17]([C:19]1[CH:28]=[CH:27][C:22]([C:23]([O:25][CH3:26])=[O:24])=[CH:21][CH:20]=1)=O.[NH2:29][C:30]([NH2:32])=[O:31].S(=O)(=O)(O)O.[CH2:38](O)[CH2:39][CH2:40]C>CCOCC.O>[C:23]([C:22]1[CH:27]=[CH:2... | 1 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH:6]=O.[NH2:8][CH2:9][CH2:10][C:11]#[N:12].C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCCl>[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH2:6][NH:12][CH2:11][CH2:10][C:9]#[N:8] | 1 |
BrC=1C(N(C=C(C1)Br)C)=O>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+].C(=O)(OC(C)(C)C)N1CCNCC1>BrC=1C=C(C(N(C1)C)=O)N1CCN(CC1)C(=O)OC(C)(C)C | 4 |
CC1(OCC(O1)CC=1C=C(C=CC1OC)C1CCN(CC1)C)C>>Cl.COC1=C(C=C(C=C1)C1CCN(CC1)C)CC(CO)O | 5 |
CC(C(NC1=CC=C(C=C1)OC1=CC=CC=C1)=O)N1[C@@H]2CN([C@H](C1)C2)CC2=CC=C(C(=O)OC)C=C2>CO[H].[OH-].[Na+]>CC(C(NC1=CC=C(C=C1)OC1=CC=CC=C1)=O)N1[C@@H]2CN([C@H](C1)C2)CC2=CC=C(C(=O)O)C=C2 | 3 |
C(C)(=O)C=1C=NC=C(C1)Br>C1CCCO1.COB(OC)OC.C1(=CC=CC=C1)C(O)([C@H]1NCCC1)C1=CC=CC=C1.CSC.B>BrC=1C=C(C=NC1)[C@@H](C)O | 3 |
BrC1=C(C(=O)O)C=C(C=C1)[N+](=O)[O-].C(C)C1=CC=C(C=C1)C=1OC2=C(N1)C=C(C=C2)N>N(C)(C)C=O.O.C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F>BrC1=C(C(=O)NC=2C=CC3=C(N=C(O3)C3=CC=C(C=C3)CC)C2)C=C(C=C1)[N+](=O)[O-] | 3 |
BrCC(=O)OC(C)(C)C.BrC=1C=C2CCC3(C2=CC1)NC(NC3=O)=O>>BrC=1C=C2CCC3(C2=CC1)NC(N(C3=O)CC(=O)OC(C)(C)C)=O | 5 |
[F-:1].[Cs+].Cl[C:4]1[CH:9]=[C:8]([Cl:10])[N:7]=[C:6]([NH2:11])[CH:5]=1.CS(C)=O>O>[Cl:10][C:8]1[N:7]=[C:6]([NH2:11])[CH:5]=[C:4]([F:1])[CH:9]=1 | 2 |
[NH2:1][C:2]1[S:6][N:5]=[C:4](/[C:7](=[N:28]/[O:29][CH3:30])/[C:8]([NH:10][C@@H:11]2[C:26](=[O:27])[N:13]3[C:14]([C:23]([OH:25])=[O:24])=[C:15]([CH2:18]OC(=O)C)[CH2:16][S:17][C@H:12]23)=[O:9])[N:3]=1.CN([Si](C)(C)C)C(=O)C(F)(F)F.[I:43][Si](C)(C)C>C(Cl)Cl>[NH2:1][C:2]1[S:6][N:5]=[C:4](/[C:7](=[N:28]/[O:29][CH3:30])/[C:8... | 1 |
CN1N=CC=C1C(=O)O.NC=1C=C(OC=2C=CC=3N(N2)C=C(N3)NC(=O)C3CC3)C=CC1>N(C)(C)C=O.C1CCCO1.C(C(=O)Cl)(=O)Cl>C1(CC1)C(=O)NC=1N=C2N(N=C(C=C2)OC=2C=C(C=CC2)NC(=O)C2=CC=NN2C)C1 | 3 |
C(C)OP(OCC)(=O)CC1=CC(=CC=C1)OC1=NC=C(C=C1)C(F)(F)F.FC(C=1C=CC(=NC1)OC=1C=C(C=CC1)C=C1CCC(CC1)C(=O)O)(F)F>>ClCC=1C=C(OC2=[N+](C=C(C=C2)C(F)(F)F)[O-])C=CC1 | 5 |
N1(C)C(=O)N(C)C=2N=CN(C2C1=O)CC(=O)O>ClCCl.CCN(CC)CC.C(C(C)C)OC(=O)Cl>CN1C(N(C=2N=CN(C2C1=O)CC(=O)NC1=CC=C(C=C1)C=1SC=CN1)C)=O | 3 |
C(C=O)(=O)O.NC1=CC=C(C(=O)OC(C)(C)C)C=C1.C(C)(C)(C)OB(O)C1=CC=CC=C1>ClCCl>C(C)(C)(C)OC(C1=CC=C(C=C1)NC(C(=O)O)C1=CC=C(C=C1)C(C)(C)C)=O | 3 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[CH3:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[N:21]=[C:22]([S:33][C:34]3[CH:39]=[CH:38][N:37]=[CH:36][CH:35]=3)[NH:23][C:24]=2[C:25]2[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=2)=[CH:16][CH:15]=1>ClCCl>[CH3:32][O:31][C:28]1[CH:27]=[CH:26][C:25]([C:24]2[N:23]=[C:22]([S:33]([C:34... | 1 |
BrC=1C(C(OC1C1=CC=NC=C1)(C)C)=O.CC=1C=CC(=NC1)COC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C>>CC1(OC(=C(C1=O)C1=CC=C(C=C1)OCC1=NC=C(C=C1)C)C1=CC=NC=C1)C | 5 |
[OH:1][CH2:2][CH2:3][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1.[CH3:12][C:13](OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=[O:14].C(=O)([O-])O.[Na+].S([O-])([O-])(=O)=S.[Na+].[Na+].C(O)CO.C1(C)C=CC(S(O)(=O)=O)=CC=1>C(Cl)Cl>[O:1]1[CH2:12][CH2:13][O:14][CH:2]1[CH2:3][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][... | 1 |
ClC1=C(C=NN1C)C#N>>ClC1=C(C=NN1C)C=1N=NNN1 | 5 |
C(C)I.COC1=CC=C(CSC=2NC(=C(N2)C)C)C=C1>N(C)(C)C=O.[H-].[Na+]>C(C)N1C(=NC(=C1C)C)SCC1=CC=C(C=C1)OC | 3 |
Cl[C:2]1[N:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16](=[O:18])[CH3:17])=[CH:11][C:10]=2[F:19])[CH:5]=[CH:4][N:3]=1.[NH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.CC1C=CC(S(O)(=O)=O)=CC=1>O1CCOCC1>[F:19][C:10]1[CH:11]=[C:12]([NH:15][C:16](=[O:18])[CH3:17])[CH:13]=[CH:14][C:9]=1[O:8][C:6]1[CH:5]=[CH:... | 2 |
FC=1C=C2C(=NC1)N(N=C2C=2N=C(C1=C(N2)N(C=C1)C(C)C)N[C@@H]1[C@H](C2CCC1CC2)C(=O)OCC)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+].C(C)[SiH](CC)CC>FC=1C=C2C(=NC1)NN=C2C=2N=C(C1=C(N2)N(C=C1)C(C)C)N[C@@H]1[C@H](C2CCC1CC2)C(=O)OCC | 3 |
C(C=C)(=O)N1CCOCC1.NC1=NC=CC(=C1I)OC1=C(C=C(C=C1)NC(=O)C=1C(N(N=CC1)C1=CC=C(C=C1)F)=O)F>N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.CCN(CC)CC>NC1=NC=CC(=C1\C=C\C(=O)N1CCOCC1)OC1=C(C=C(C=C1)NC(=O)C=1C(N(N=CC1)C1=CC=C(C=C1)F)=O)F | 3 |
C(C)OC([C@@H](C[C@@H](CC1=CC=C(C=C1)C1=CC(=CC=C1)Cl)N)O)=O.OC1=CC(=NN1C1=NC=CC=C1)C(=O)O>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)OC([C@@H](C[C@@H](CC1=CC=C(C=C1)C1=CC(=CC=C1)Cl)NC(=O)C1=NN(C(=C1)O)C1=NC=CC=C1)O)=O | 3 |
Cl.CNC.BrC1=C(C=O)C=CC=C1>>BrC1=C(CN(C)C)C=CC=C1 | 5 |
COC1=CC=C(CCl)C=C1.OCCOC1=CC=C(C=C1)C1C(NC(CC1)=O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>OCCOC1=CC=C(C=C1)C1C(N(C(CC1)=O)CC1=CC=C(C=C1)OC)=O | 3 |
[C:1]([OH:6])(=O)[CH:2]([CH3:4])[OH:3].P(=O)(O)(O)O.[O-2:12].[Mg+2]>O>[OH:12][CH2:4][C@@H:2]([C@H:1]([C@@H:4]([C@@H:2]([CH2:1][OH:6])[OH:3])[OH:12])[OH:6])[OH:3] | 1 |
NC1=C(C=C(C(=O)OC)C=C1OC(F)(F)F)Cl>CC#N.O.[Cu](Br)Br.N(=O)OC(C)(C)C>BrC1=C(C=C(C(=O)OC)C=C1OC(F)(F)F)Cl | 3 |
Br[C:2]1[S:6][C:5]([CH:7]=[O:8])=[CH:4][CH:3]=1.[CH2:9](B(O)O)[CH3:10]>>[CH2:9]([C:2]1[S:6][C:5]([CH:7]=[O:8])=[CH:4][CH:3]=1)[CH3:10] | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.