smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(COCC(=O)O1)=S.NCCN1CC(N(CC1)C)=O>C1CCCO1>CN1C(CN(CC1)CCNC(CSCC(=O)O)=O)=O | 3 |
[NH:1]1[CH2:4][CH:3]([C:5]([OH:7])=[O:6])[CH2:2]1.C(N(CC)CC)C.[CH2:15]([O:22][C:23](ON1C(=O)CCC1=O)=[O:24])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1>O1CCOCC1.O>[CH2:15]([O:22][C:23]([N:1]1[CH2:4][CH:3]([C:5]([OH:7])=[O:6])[CH2:2]1)=[O:24])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 1 |
C(OC)(OC)OC.CC1=CC=C(C=C1)C(C=O)=C>>COC1C(=CC2=CC=C(C=C12)C)C | 5 |
COC(CCC1=C(C=C(C=C1)OCC(C)C=1SC(=CC1C)C1=CC=C(C=C1)C(F)(F)F)C)=O>C1CCCO1.CO[H].[OH-].[Na+]>CC1=C(C=CC(=C1)OCC(C)C=1SC(=CC1C)C1=CC=C(C=C1)C(F)(F)F)CCC(=O)O | 3 |
[I:1]I.[F:3][C:4]([F:25])([F:24])[C:5]([C:14]1[CH:19]=[CH:18][C:17]([OH:20])=[C:16]([CH2:21][CH2:22][CH3:23])[CH:15]=1)([O:10][CH2:11][O:12][CH3:13])[C:6]([F:9])([F:8])[F:7].S([O-])([O-])(=O)=S.[Na+].[Na+]>N1C=CC=CC=1>[F:3][C:4]([F:24])([F:25])[C:5]([C:14]1[CH:15]=[C:16]([CH2:21][CH2:22][CH3:23])[C:17]([OH:20])=[C:18](... | 1 |
NCCCCN.ClC1=NC(=C2C(N1)=NC=C2)Cl>CCN(CC)CC.C(CCC)O>NCCCCNC=1C2=C(N=C(N1)Cl)NC=C2 | 3 |
ClS(=O)(=O)C=1C=C(C(=O)O)C=CC1F>Cl.O.O.[Sn](Cl)Cl>FC1=C(C=C(C(=O)O)C=C1)S | 3 |
OCN1C=C(C=2C1=NC=C(N2)NC2CCNCC2)C(=O)NCC#C>CO[H].C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[K+].[K+]>N1CCC(CC1)NC=1N=C2C(=NC1)NC=C2C(=O)NCC#C | 3 |
ClCC(=O)C=1SC=CC1.CN1CCC(CC1)C(=O)OC(C1=CC(=CC=C1)F)C1=CC(=CC=C1)F>>[Cl-].FC=1C=C(C=CC1)C(OC(=O)C1CC[N+](CC1)(CC(C=1SC=CC1)=O)C)C1=CC(=CC=C1)F | 5 |
[Pd:1](Cl)Cl.[C:4]1([P:10]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.NN>>[Pd:1].[C:17]1([P:10]([C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1.[C:17]1([P... | 2 |
[Si](C)(C)(C(C)(C)C)OCCC=1C=CC2=C(C(C=3C(=NC=C(C3)C=3C=NN(C3)C)C=C2)=O)C1>>OCCC=1C=CC2=C(C(C=3C(=NC=C(C3)C=3C=NN(C3)C)C=C2)=O)C1 | 5 |
C1=C(C=CC2=CC=CC=C12)O.NC=1N=C(C2=C(N1)OC=C2CCl)N>>NC=1N=C(C2=C(N1)OC=C2COC2=CC1=CC=CC=C1C=C2)N | 5 |
[C:1]1([OH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-:8].[Na+].[Cl:10][CH:11](O)[CH2:12][CH2:13][CH2:14]Cl>O>[Cl:10][CH2:11][CH2:12][CH:13]([OH:8])[CH2:14][O:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C(C)(=O)OC(C)=O.FC=1C(=C(N)C=CC1)C>>FC=1C(=C(C=CC1)NC(C)=O)C | 5 |
BrC1=CC=C(C2=CC=CC=C12)S(=O)(=O)[O-].[K+]>C(C)OCC.[N+](=O)(O)[O-]>BrC1=CC=C(C2=C(C=CC=C12)[N+](=O)[O-])S(=O)(=O)O | 3 |
[CH2:1]([N:3]1[CH:7]=[C:6]([C:8]2[CH:9]=[C:10]([CH:12]=[CH:13][CH:14]=2)[NH2:11])[C:5]([C:15]2[CH:20]=[CH:19][N:18]=[CH:17][CH:16]=2)=[N:4]1)[CH3:2].F[C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([N:28]=[C:29]=[O:30])[CH:23]=1.C(Cl)[Cl:32]>>[Cl:32][C:27]1[CH:26]=[CH:25][C:24]([NH:28][C:29]([NH:11][C:10]2[CH:12]=[CH:13][CH:14]=[... | 2 |
C(C)(C)(C)OC(=O)N1CC(CC1)(C(COS(=O)(=O)C)(F)F)NC(=O)OCC1=CC=CC=C1>N(C)(C)C=O.[H-].[Na+]>C(C)(C)(C)OC(=O)N1CC2(C(CN2C(=O)OCC2=CC=CC=C2)(F)F)CC1 | 3 |
N1=CC=C(C=C1)CC(=O)O.NC=1C(NC(N(C1N)C)=O)=O>N(C)(C)C=O.CCO[H].[OH-].[Na+].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>CN1C(NC(C=2N(C(=NC12)CC1=CC=NC=C1)C)=O)=O | 3 |
C(C1=CC=CC=C1)OC(N[C@H](C(=O)NC[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)COCC1=CC=CC=C1)=O>CCO[H].[HH].[Pd]>C(C)(C)(C)OC(NCCC[C@@H](CNC([C@H](CO)N)=O)NC(=O)OC(C)(C)C)=O | 3 |
C(C)(C)(C)OC(=O)NC1CN(CCC1)C1=CC(=CC=C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].BrCC(=O)OC>C(C)(C)(C)OC(=O)NC1CN(CCC1)C=1C=C(OCC(=O)OC)C=CC1 | 3 |
C(C(=O)OCC)(=O)OCC.N(N)C1=NC=CC=C1>O.S(O)(O)(=O)=O.[O-]CC.[Na+].C(C)O>NC1=CC(=NN1C1=NC=CC=C1)C(=O)OCC | 3 |
ClC1=NC=C(C=N1)C=O>N(C)(C)C=O.c1cnc[nH]1.C([O-])([O-])=O.[K+].[K+].[Cl-].[Li+]>N1(C=NC=C1)C1=NC=C(C=N1)C=O | 3 |
C([SiH3])CCC.[Br:6][C:7]1[CH:16]=[C:15]2[C:10]([CH:11](O)[CH2:12][CH:13]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[O:14]2)=[CH:9][CH:8]=1.FC1C(B(C2C(F)=C(F)C(F)=C(F)C=2F)C2C(F)=C(F)C(F)=C(F)C=2F)=C(F)C(F)=C(F)C=1F.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[Br:6][C:7]1[CH:16]=[C:15]2[C:10]([CH2:11][CH2:12][CH:13]([C:17]3[CH:18]=... | 2 |
FC=1C=C(C=C(C1)F)C[C@@H](C=1OC(=NN1)C1=CC=CC=C1)NC(OC(C)(C)C)=O>>FC=1C=C(C=C(C1)F)C[C@H](N)C=1OC(=NN1)C1=CC=CC=C1 | 5 |
ClC1=NC(=NN2C1=NC=C2CC2=CC=CC1=CC=CC=C21)OC[C@H]2N(CC(C2)(F)F)C.N1[C@H](CNCC1)CC#N>C1CCCO1.ClCCl.C(C)(C)N(C(C)C)CC>FC1(C[C@H](N(C1)C)COC1=NN2C(C(=N1)N1C[C@@H](NCC1)CC#N)=NC=C2CC2=CC=CC1=CC=CC=C21)F | 3 |
ClC1=CC(=C(C=C1)N)C>CC#N.C1(=CC=CC=C1)C.O.ClCCl.[Al](Cl)(Cl)Cl.B(Cl)(Cl)Cl>NC1=C(C=C(C=C1C)Cl)C(C)=O | 3 |
C([O:3][C:4](=[O:14])[CH2:5][C:6]1[CH:7]=[N:8][C:9]([Cl:13])=[C:10]([F:12])[CH:11]=1)C>Cl>[Cl:13][C:9]1[N:8]=[CH:7][C:6]([CH2:5][C:4]([OH:14])=[O:3])=[CH:11][C:10]=1[F:12] | 1 |
BrCCCCCCO>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>BrCCCCCC=O | 3 |
[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:38]=[CH:37][C:16]([C:17]([N:19]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[C:20]3[CH:21]=[CH:22][C:23]([F:30])=[C:24]([CH:29]=3)[C:25]([O:27]C)=[O:26])=[O:18])=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].O.[OH-].[Li+].O.Cl>C1COCC1>[CH2:1]([C:5]... | 1 |
C1(=CC=CC=C1)C=1C(=COC1)C=O>>C1(=CC=CC=C1)C=1C(=COC1)CN | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([NH:12][C:13]2[CH:14]=[C:15]3[C:20](=[CH:21][CH:22]=2)[NH:19][C:18](=[O:23])[CH:17]=[CH:16]3)=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8].C(=O)([O-])[O-].[K+].[K+].[CH2:30](Br)[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1.Cl>CN(C)C(=O)C.O.C(OCC)(=O)C>[CH2:30]([N:19]1[C:20]2[C:15](=[CH:14]... | 2 |
N(N)C(=O)OC(C)(C)C.ClC1=CC=C(C=C1)C1=C(C(=NN1C1=C(C=C(C=C1)Cl)Cl)C(=O)Cl)C>ClCCl.CCN(CC)CC>ClC1=CC=C(C=C1)C1=C(C(=NN1C1=C(C=C(C=C1)Cl)Cl)C(=O)NNC(=O)OC(C)(C)C)C | 3 |
[CH2:1]([OH:12])[C@H:2]([OH:11])[C@H:3]1[O:8][C:6](=[O:7])[C@@H:5]([OH:9])[C@H:4]1[OH:10].CO[C:15](OC)([CH3:17])[CH3:16].[C:20]1(C)[CH:25]=CC(S(O)(=O)=O)=C[CH:21]=1.C(=O)(O)[O-].[Na+]>C(Cl)(Cl)Cl.CC(C)=O.C(OCC)(=O)C>[CH3:16][C:15]1([CH3:17])[O:11][CH:2]([CH:3]2[O:8][C:6](=[O:7])[CH:5]3[O:9][C:20]([CH3:25])([CH3:21])[O:... | 1 |
NCC1=NN=NN1.C(C)(C)(C)OC(=O)N1[C@@H](CC2=CC=CC=C12)C(=O)O>>N=1NN=NC1CNC(=O)[C@H]1N(C2=CC=CC=C2C1)C(=O)OC(C)(C)C | 5 |
ClC=1C=C2C(=CN1)NC=C2>N(C)(C)C=O.BrBr>BrC1=CNC2=CN=C(C=C21)Cl | 3 |
ClCC=1C(=NN(C1)C1=CC=C(C=C1)Cl)C(=O)NC1=CC(=C(C=C1)O)OC>>ClC1=CC=C(C=C1)N1N=C2C(=C1)CN(C2=O)C2=CC(=C(C=C2)O)OC | 5 |
Cl.COC(C1=C(C=C(C=C1)CN1CCOCC1)O)=O>CO[H].N>Cl.OC1=C(C(=O)O)C=CC(=C1)CN1CCOCC1 | 3 |
[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1)([CH3:3])[CH3:2].Cl[C:12]1[CH:17]=[CH:16][C:15]([N+:18]([O-:20])=[O:19])=[CH:14][CH:13]=1.[OH-].[K+]>CS(C)=O>[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([O:10][C:12]2[CH:17]=[CH:16][C:15]([N+:18]([O-:20])=[O:19])=[CH:14][CH:13]=2)=[CH:6][CH:5]=1)([CH3:3])[CH3:2] | 1 |
CO[C:3]([C:5]1[C:14]([OH:15])=[C:13]2[C:8]([CH:9]=[CH:10][C:11](=[O:23])[N:12]2[CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[CH:7][N:6]=1)=[O:4].[NH2:24][CH2:25][CH2:26][NH:27][C:28](=[O:30])[CH3:29].CC(O)=O.O>CCO.CCOC(C)=O>[C:28]([NH:27][CH2:26][CH2:25][NH:24][C:3]([C:5]1[C:14]([OH:15])=[C:13]2[C:8]([CH:9]=... | 1 |
[NH2:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([OH:10])=[O:9])[CH2:4][CH2:3]1.[C:11](=O)(O)[O-].[Na+]>CO.S(=O)(=O)(O)O>[CH3:11][O:9][C:8]([C@H:5]1[CH2:6][CH2:7][C@H:2]([NH2:1])[CH2:3][CH2:4]1)=[O:10] | 1 |
OC1=C(C=C(C=C1[N+](=O)[O-])CC(=O)O)I>>OC1=C(C=C(C=C1[N+](=O)[O-])CC(=O)OC)I | 5 |
[F:1][C:2]1[CH:15]=[C:14]([N+:16]([O-:18])=[O:17])[CH:13]=[CH:12][C:3]=1[O:4][C:5]1[N:10]=[CH:9][N:8]=[C:7]([NH2:11])[CH:6]=1.[CH2:19]([N:21]([CH2:24][CH3:25])[CH2:22]C)[CH3:20].ClC(OC1C=CC=CC=1)=[O:28].N1CCCC1>O1CCCC1.[Cl-].[NH4+].ClCCl>[F:1][C:2]1[CH:15]=[C:14]([N+:16]([O-:18])=[O:17])[CH:13]=[CH:12][C:3]=1[O:4][C:5]... | 1 |
ClC1=NC(=NC=C1C(F)(F)F)NC1CCN(CC1)S(=O)(=O)C=1C=NN(C1)C>N(C)(C)C=O.P(=O)(Cl)(Cl)Cl>OC(C)C=1SC(=CC1C#N)C1=NC(=NC=C1C(F)(F)F)NC1CCN(CC1)S(=O)(=O)C=1C=NN(C1)C | 3 |
[CH3:1][C:2]([C:6]1[CH:11]=[CH:10][C:9]([CH:12]2[CH2:17][CH2:16][CH2:15][CH:14]([NH:18][CH:19]([C:21]3[C:30]4[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=4)[CH:24]=[CH:23][CH:22]=3)[CH3:20])[CH2:13]2)=[CH:8][CH:7]=1)([CH3:5])[C:3]#N.[OH-:31].[Na+].C[OH:34]>>[CH3:1][C:2]([C:6]1[CH:11]=[CH:10][C:9]([CH:12]2[CH2:17][CH2:16][CH2:... | 2 |
[N+](=[N-])=C(C(=O)OCC)C.O[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CC2>ClCCl.C(C)(=O)[O-].[Rh+3].C(C)(=O)[O-].C(C)(=O)[O-]>OC(C(O[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CC2)C)(C)C | 3 |
[Br:1][C:2]1[CH:9]=[C:8](F)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].Cl.[NH2:12][C@@H:13]([C:15]([NH2:17])=[O:16])[CH3:14].CC(N(C)C)=O.CCOC(C)=O>CS(C)=O.O>[Br:1][C:2]1[CH:9]=[C:8]([NH:12][C@H:13]([CH3:14])[C:15]([NH2:17])=[O:16])[CH:7]=[CH:6][C:3]=1[C:4]#[N:5] | 1 |
[C-]#N.[Zn+2].[C-]#N.ClC1=NC=C(C(=N1)N1CCCCC1)I>[Zn].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>ClC1=NC=C(C(=N1)N1CCCCC1)C#N | 3 |
BrC=1C=C(C(=NC1)C)N.ClCCCNS(=O)(=O)Cl>c1ccncc1>BrC=1C=C(C(=NC1)C)N(S(N)(=O)=O)CCCCl | 3 |
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]2[CH2:15][CH2:14][CH2:13][CH2:12]2)=[C:4]([NH:16][CH2:17][CH2:18][NH:19][C:20](=[O:28])[C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=2)[N:3]=1.[NH2:29][C@H:30]1[CH2:35][CH2:34][C@H:33]([NH2:36])[CH2:32][CH2:31]1>>[ClH:1].[ClH:1].[NH2:29][C@H:30]1[CH2:35][CH... | 1 |
C(CCS)S.COC(=O)C1N(CC(C1)=O)C(=O)OCC1=CC=CC=C1>>COC(=O)C1N(CC2(C1)SCCCS2)C(=O)OCC2=CC=CC=C2 | 5 |
COC(C=1C(C(=O)OC)=CC(=C(C1)NC1=CC(=C(C(=C1)OC)OC)OC)NC1=CC=CC=C1)=O>O.CO[H].Cl.O[Li].O.O=C1C(O)=C([O-])[C@H](O1)[C@@H](O)CO.[Na+]>N(C1=CC=CC=C1)C=1C=C(C(C(=O)O)=CC1NC1=CC(=C(C(=C1)OC)OC)OC)C(=O)O | 3 |
FC1=CC=C(C=C1)N1N=CC2=C(C=CC=C12)CC[C@H](C)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>FC1=CC=C(C=C1)N1N=CC2=C(C=CC=C12)CC[C@H](C)N | 3 |
[Cl:1][C:2]1[C:11](F)=[CH:10][C:9]([C:13]2[CH:14]=[N:15][N:16]([CH3:18])[CH:17]=2)=[CH:8][C:3]=1[C:4]([O:6]C)=[O:5].[CH3:19][C:20](C)([O-:22])[CH3:21].[K+]>CC(O)C>[Cl:1][C:2]1[C:11]([O:22][CH:20]([CH3:21])[CH3:19])=[CH:10][C:9]([C:13]2[CH:14]=[N:15][N:16]([CH3:18])[CH:17]=2)=[CH:8][C:3]=1[C:4]([OH:6])=[O:5] | 2 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([C:12]1[CH:20]=[CH:19][CH:18]=[CH:17][C:13]=1[C:14]([NH2:16])=O)[CH:6]=[CH:5]2.C1(C)C=CC(S(Cl)(=O)=O)=CC=1>O>[CH3:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([C:12]1[CH:20]=[CH:19][CH:18]=[CH:17][C:13]=1[C:14]#[N:16])[CH:6]=[CH:5]2 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[S:9]([NH:12][C:13]1[CH:21]=[C:20]([I:22])[CH:19]=[CH:18][C:14]=1[C:15]([OH:17])=O)(=[O:11])=[O:10].[CH3:23][O:24][C:25](=[O:38])[C@@H:26]([NH2:37])[C@@H:27]([C:29]1[CH:34]=[CH:33][C:32]([Cl:35])=[C:31]([Cl:36])[CH:30]=1)[CH3:28]>>[CH3:23][O:24][C:25](=[O:38])[C@@H:26](... | 1 |
[H-].[Na+].[CH3:3][O:4][C:5]1([O:16][CH3:17])[CH2:15][C:7]2([CH2:10][C:9]([CH2:13][OH:14])([CH2:11][OH:12])[CH2:8]2)[CH2:6]1.[CH2:18](Br)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.[Cl-].[NH4+]>O1CCCC1.CN(C)C=O>[CH2:18]([O:14][CH2:13][C:9]1([CH2:11][O:12][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH2:8]... | 1 |
C(CC)[C@@H]1CC[C@H](CC1)C1CC=C(CC1)C(OC1=CC(=C(C(=C1)F)F)F)(F)F>[HH].[Pd].C1(=CC=CC=C1)C.C(C)O>C(CC)[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C(OC1=CC(=C(C(=C1)F)F)F)(F)F | 3 |
[Br:1][C:2]1[C:3]([NH:15][CH:16]2[CH2:21][CH2:20][N:19]([CH3:22])[CH2:18][CH2:17]2)=[CH:4][C:5]([NH:8]C(=O)C(C)(C)C)=[N:6][CH:7]=1.C([O-])([O-])=O.[Na+].[Na+]>Cl>[Br:1][C:2]1[C:3]([NH:15][CH:16]2[CH2:21][CH2:20][N:19]([CH3:22])[CH2:18][CH2:17]2)=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)OC(=O)Cl.NC=1C=C(C=CC1)C(CO)O>O.ClCCl.C([O-])([O-])=O.[Na+].[Na+]>OC(CO)C=1C=C(C=CC1)NC(OCC1=CC=CC=C1)=O | 3 |
[S:1]1[C:5]([C:6](OCC)=[O:7])=[CH:4][CH:3]=[C:2]1[C:11]([O:13][CH2:14][CH3:15])=[O:12].[BH4-].[Na+].O>C(O)C>[OH:7][CH2:6][C:5]1[S:1][C:2]([C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:3][CH:4]=1 | 1 |
C(C)OC(CCOCC(=C)C)OCC.BrC(C=C)C>>BrCC/C=C(/COCCC(OCC)OCC)\C | 5 |
C(C)(=O)OC(C)=O.IC1=C(C=C(C=C1)OC)SC=1N(C2=NC=NC(=C2N1)N)CCNCC(C)C>ClCCCl>NC1=C2N=C(N(C2=NC=N1)CCN(C(C)=O)CC(C)C)SC1=C(C=CC(=C1)OC)I | 3 |
CC(C)(C)OC(=O)N1CCC2=C(CC1)C=CC(=C2)CC=2N=CC(=NC2)C(=O)O>>NC(=O)C=1N=CC(=NC1)CC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1 | 5 |
[CH3:1][C:2](=[CH2:14])[CH2:3][C@H:4]([C@H:9]([OH:13])[CH2:10][CH2:11][CH3:12])[C:5]([O:7][CH3:8])=[O:6]>[Pd].CO>[CH3:14][CH:2]([CH3:1])[CH2:3][C@H:4]([C@H:9]([OH:13])[CH2:10][CH2:11][CH3:12])[C:5]([O:7][CH3:8])=[O:6] | 1 |
O1CCCC1.[H-].[Na+].Cl.Cl[CH2:10][CH2:11][N:12]([CH2:15][CH3:16])[CH2:13][CH3:14].[CH2:17]([N:19]1[C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=2[CH:23](C#N)[CH2:22][C:21]2[CH:32]=[CH:33][CH:34]=[CH:35][C:20]1=2)[CH3:18].[CH3:36][N:37](C)C=O>>[CH2:13]([N:12]([CH2:15][CH3:16])[CH2:11][CH2:10][CH:22]1[C:21]2[CH:32]=[CH:33][... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:11][C:12]([OH:14])=O)[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].[NH:15]1[CH2:20][CH2:19][O:18][CH2:17][CH2:16]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.N1C=CC=CC=1>CN(C)C=O.CCOC(C)=O>[F:1][C:2]1[CH:3]=[C:4]([CH2:11][C:12]([N:15]2[CH2:20][CH2:19][O:18][CH2:17][CH2:16]2)=[O:14])... | 2 |
NC1=C2C(=NC=C1C=O)N(C=C2)CC(=O)N2[C@@H]1C[C@@H]1C[C@H]2C(=O)NC2=NC(=CC=C2)Br>C1CCCO1.CO[H].[Na+].[BH4-].[Cl-].[NH4+]>NC1=C2C(=NC=C1CO)N(C=C2)CC(=O)N2[C@@H]1C[C@@H]1C[C@H]2C(=O)NC2=NC(=CC=C2)Br | 3 |
COC1=C(C=CC(=N1)/C=C/C(=O)NNC(=O)OC(C)(C)C)N1C=NC(=C1)C>CO[H].Cl>Cl.Cl.COC1=C(C=CC(=N1)/C=C/C(=O)NN)N1C=NC(=C1)C | 3 |
CS[C:3]1[NH:12][C:11](=[O:13])[C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[N:4]=1.[CH3:14][O:15][C:16]1[CH:21]=[CH:20][C:19]([N:22]2[CH2:27][CH2:26][NH:25][CH2:24][C:23]2=[O:28])=[CH:18][CH:17]=1>C(O)CC(C)C>[CH3:14][O:15][C:16]1[CH:17]=[CH:18][C:19]([N:22]2[CH2:27][CH2:26][N:25]([C:3]3[NH:12][C:11](=[O:13])[C:10]4[CH2:9]... | 1 |
C(C)(C)(C)OC(NC1CN(CC1)C=1C=2N(C=C(N1)C)C=CC2)=O>>Cl.Cl.CC=1N=C(C=2N(C1)C=CC2)N2CC(CC2)N | 5 |
[C:1]([OH:5])(=O)[C:2]#[CH:3].[Cl:6][C:7]1[CH:13]=[CH:12][C:10]([NH2:11])=[CH:9][CH:8]=1.ClCCl.CO.N>>[Cl:6][C:7]1[CH:13]=[CH:12][C:10]([NH:11][C:1](=[O:5])[C:2]#[CH:3])=[CH:9][CH:8]=1 | 1 |
NC1C(CN(CC1)C(=O)OCC)C>>C(=O)(OCC)N1CC(C(CC1)N(C)C)C | 5 |
BrCC1=C(C(=O)OC)C=CN=C1Cl.FC(OC1=NC=C(C=N1)N)F>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>ClC1=NC=CC2=C1CN(C2=O)C=2C=NC(=NC2)OC(F)F | 3 |
FC(F)(F)S(O[C:7]1[CH:12]=[CH:11][C:10]([N:13]2[CH:18]=[C:17]([O:19][CH3:20])[C:16](=[O:21])[C:15]([C:22]3[N:26]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)[N:25]=[CH:24][CH:23]=3)=[N:14]2)=[C:9]([F:33])[CH:8]=1)(=O)=O.[CH:36]1([CH:39]=[CH2:40])[CH2:38][CH2:37]1.CCN(C(C)C)C(C)C>CN(C=O)C.C([O-])(O)=O.[Na+].[Cu]I.Cl[P... | 1 |
C(C)(C)(C)[Si](C)(C)Cl.C1(CC1)CC1CC(C(N1)=O)O>c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OC1C(NC(C1)CC1CC1)=O | 3 |
N1C(=NC2=C1C=CC=C2)C(=O)C2=CC=C(C=C2)OC2=NC=CN=C2C=2COCCC2>[HH].C(C)(=O)OCC.[Pd].[O-2].[O-2].[Mn+4]>N1C(=NC2=C1C=CC=C2)C(=O)C2=CC=C(C=C2)OC2=NC=CN=C2C2COCCC2 | 3 |
Cl[C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[C:6]([NH:14][CH:15]2[CH2:19][CH2:18][CH2:17][CH2:16]2)[N:5]2[N:20]=[CH:21][N:22]=[C:4]2[N:3]=1.CN.[CH2:25]([N:27](CC)CC)C>C1(C)C=CC=CC=1>[CH3:25][NH:27][C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[C:6]([NH:14][CH:15]2[CH2:19][CH2:18][CH2:17][CH2... | 1 |
[Si:1]([O:8][CH2:9][C:10]1[O:14][N:13]=[C:12]([C:15]([NH:17][NH2:18])=O)[CH:11]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH3:19][C:20]1[CH:25]=[CH:24][C:23]([S:26]([O:29][C:30]2[NH:34][N:33]=[C:32]([CH:35]=O)[C:31]=2[C:37]([CH3:40])([CH3:39])[CH3:38])(=[O:28])=[O:27])=[CH:22][CH:21]=1>C1(C)C(C)=CC=CC=1>[CH3:... | 2 |
ClC1=CC=NC=C1C(=O)O.BrC1=CC(=C(C=C1Cl)O)Cl>>BrC1=CC(=C(OC2=CC=NC=C2C(=O)O)C=C1Cl)Cl | 5 |
C(=O)OCC.Cl.NC(C)C1(OCCO1)C>CO[H].C[O-].[Na+]>C(=O)NC(C)C1(OCCO1)C | 3 |
C(C)(=O)[O-].O=C1NC[C@@H]1[NH3+].O1COC2=C1C=CC(=C2)COC(=O)N2C(C=CC=C2)=O>ClCCl.C(C)(C)N(C(C)C)CC>O=C1NC[C@@H]1NC(OCC1=CC2=C(OCO2)C=C1)=O | 3 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O.C(C1=CC=CC=C1)NCC1=CC=CC=C1>CCO[H].[OH-].[Na+]>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O | 3 |
C([O:3][CH:4](OCC)[CH2:5][CH2:6][CH2:7][N:8]([CH2:10][C:11]1[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][CH:12]=1)[CH3:9])C.Cl>C1COCC1>[CH3:9][N:8]([CH2:10][C:11]1[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][CH:12]=1)[CH2:7][CH2:6][CH2:5][CH:4]=[O:3] | 1 |
[Cl:1][CH2:2][C:3](Cl)=[O:4].C(=O)([O-])[O-].[K+].[K+].Cl.[CH2:13]([O:20][C:21](=[O:26])[C@H:22]([CH2:24][OH:25])[NH2:23])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.O1CCCC1.O>C(OCC)(=O)C>[Cl:1][CH2:2][C:3]([NH:23][C@@H:22]([CH2:24][OH:25])[C:21]([O:20][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:26])=... | 2 |
C1(=CC=CC=C1)N=C=O.N1CCC(CC1)N1C(CCC2=CC=CC=C12)=O>ClCCl>N(C1=CC=CC=C1)C(=O)N1CCC(CC1)N1C(=O)CCC2=CC=CC=C12 | 3 |
ICCC.C(CCCCCO)O>>C(CC)OCCCCCCO | 5 |
C(CCCC)N.ClC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N>>C(CCCC)NC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N | 5 |
Cl[C:2]([S:4]Cl)=[O:3].[Cl:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][C:15]([NH2:17])=[O:16])=[CH:9][CH:8]=1>C1(C)C=CC=CC=1>[Cl:6][C:7]1[CH:8]=[CH:9][C:10]([CH2:13][CH2:14][C:15]2[O:16][C:2](=[O:3])[S:4][N:17]=2)=[CH:11][CH:12]=1 | 1 |
NC1=CC=C(C=C1)CC(=O)O.N(C1=CC=CC=C1)C1=NC(=NC=C1Br)Cl>>N(C1=CC=CC=C1)C1=NC(=NC=C1Br)NC1=CC=C(C=C1)CC(=O)O | 5 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:11]3[CH:16]=[C:15]([O:17][CH3:18])[C:14]([O:19][CH3:20])=[C:13]([O:21][CH3:22])[CH:12]=3)[O:10][C:3]=12.[NH2:23][CH2:24][CH:25]1[CH2:30][CH2:29][CH2:28][N:27]([C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[CH2:26]1>O1CCOCC1.C1(P(C2CCCCC2)C2C(OC)=CC=C(OC)C=2C2C(... | 2 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[C:10](=[O:11])[CH:9]([CH2:12][C:13]([F:16])([F:15])[F:14])[S:8][CH2:7]1.[ClH:17].[S:18]1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2[C:20]([N:27]2[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)=[N:19]1.C([O-])([O-])=O.[K+].[K+].[Na+].[I-]>C(#N)C>[ClH:17].[S:18]1[C:22]2[CH:23]=[CH:24][CH:... | 1 |
ClC1=NC=2N(C=C1)N=CC2C(=O)OCC.FC1(C[C@H](CNC1)NC(OCC1=CC=CC=C1)=O)F>>C(C1=CC=CC=C1)OC(=O)N[C@@H]1CC(CN(C1)C1=NC=2N(C=C1)N=CC2C(=O)OCC)(F)F | 5 |
Cl.CNOC.C(C)(C)(C)OC(=O)N1[C@@H]([C@H](CC1)O)C(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(=O)N1[C@@H]([C@H](CC1)O)C(N(C)OC)=O | 3 |
[NH:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1.Cl[CH2:7][C:8]1[NH:12][C:11]2[CH:13]=[CH:14][C:15]([N+:17]([O-:19])=[O:18])=[CH:16][C:10]=2[N:9]=1>C(Cl)Cl>[N+:17]([C:15]1[CH:14]=[CH:13][C:11]2[NH:12][C:8]([CH2:7][N:1]3[CH2:5][CH2:4][CH2:3][CH2:2]3)=[N:9][C:10]=2[CH:16]=1)([O-:19])=[O:18] | 1 |
CO[C@H]([C@@H](C=O)OC(C1=CC=CC=C1)=O)CC(=C)C>O.CC(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[Na+]>C(C1=CC=CC=C1)(=O)O[C@H](C(=O)O)[C@H](CC(=C)C)OC | 3 |
Cl.C(CC#C)N.S=C1NC(SC1)=O>>C(CC#C)NC1=NC(SC1)=O | 5 |
COCC(=O)Cl.BrC=1C=CC(=C(C1)NC)[N+](=O)[O-]>>BrC=1C=CC(=C(C1)N(C(COC)=O)C)[N+](=O)[O-] | 5 |
N1=CC(=CC=C1)B(O)O.BrC1=CC=2C3=C(C=NC2C=C1)SN=C3C3=CC=C(C=C3)C(C#N)(C)C>>BrC1=CC=2C3=C(C=NC2C=C1)NN=C3C3=CC=C(C=C3)C(C#N)(C)C | 5 |
Br.BrCC(=O)C1=CC=NC=C1.COC=1C=C(C=C(C1OC)OC)NC(=S)N>>N1=CC=C(C=C1)C=1N=C(SC1)NC1=CC(=C(C(=C1)OC)OC)OC | 5 |
I.I[C:3]1[N:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([O:16][C:17]3[CH:18]=[N:19][C:20]([CH3:23])=[CH:21][CH:22]=3)=[C:12]([CH3:24])[CH:11]=2)[C:4]=1[NH2:25].[C:26]([C:28]1[CH:29]=[C:30]([CH:40]=[CH:41][CH:42]=1)[CH2:31][NH:32][C:33](=[O:39])[O:34][C:35]([CH3:38])([CH3:37])[CH3:36])#[CH:27]>C(#N)C.C(N(CC)... | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.