smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7](Cl)[CH:6]=[N:5]2.[F:13][C:14]1[CH:27]=[C:26]([OH:28])[CH:25]=[CH:24][C:15]=1[O:16][CH:17]([CH3:23])[C:18]([O:20][CH2:21][CH3:22])=[O:19]>>[F:13][C:14]1[CH:27]=[C:26]([O:28][C:7]2[CH:6]=[N:5][C:4]3[C:9](=[CH:10][CH:11]=[C:2]([Br:1])[CH:3]=3)[N:8]=2)[CH:25]=[CH... | 1 |
[OH:1][C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][C:3]=1[CH:4]=[O:5].I[C:14]1([S:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH2:16][CH2:15]1.[BH4-].[Na+].O>C1(C)C=CC=CC=1.C(OCC)(=O)C.C(=O)([O-])[O-].[Ag+2]>[N+:10]([C:7]1[CH:8]=[CH:9][C:2]([O:1][C:14]2([S:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:... | 2 |
N1CC(C1)C1=CC(=C(CN2CCC(CC2)C(=O)OC)C(=C1)C)C.BrC1=C(C#N)C=CC=C1C>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>C(#N)C1=C(C(=CC=C1)C)N1CC(C1)C1=CC(=C(CN2CCC(CC2)C(=O)OC)C(=C1)C)C | 3 |
C(C)OC(=O)C=1C=C(C=CC1)C=1C(=CC=CC1)C1=C(C=CC(=C1)Cl)OCC1=CC=CC=C1>C(C)(=O)O.Br>C(C)OC(=O)C=1C=C(C=CC1)C=1C(=CC=CC1)C1=C(C=CC(=C1)Cl)O | 3 |
N(=[N+]=[N-])CCCO.C(CCCCCCCCCCC)SC(=S)SC(C(=O)Cl)(C)C>ClCCl.CCN(CC)CC>N(=[N+]=[N-])CCCOC(C(C)(C)SC(=S)SCCCCCCCCCCCC)=O | 3 |
[CH3:1][O:2][C:3]([C:5]1[NH:14][C:8]2=[CH:9][N:10]=[CH:11][C:12]([Br:13])=[C:7]2[CH:6]=1)=[O:4].C([O-])([O-])=O.[K+].[K+].[CH2:21]([O:23][C:24](=[O:28])[CH2:25]CBr)[CH3:22]>CN(C=O)C.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH3:1][O:2][C:3]([C:5]1[N:14]([CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:28])[C:8]2=[CH:9][N:10]=[CH:11][C... | 2 |
Br[C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][CH:8]=[N:9]2)=[C:4]([C:12]([NH:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[O:13])[C:3]=1[OH:21].[S:22]1[C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=2[CH:24]=[C:23]1B(O)O.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C... | 2 |
CON(C(=O)C(C)NC(OC(C)(C)C)=O)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(=O)(OC(C)(C)C)NC(C=O)C | 3 |
C(=O)(OC(C)(C)C)N1C(CNCC1)C.BrC1=C(C=C2C(=NC=NC2=C1F)Cl)Cl>ClCCl.CCN(CC)CC>BrC1=C(C=C2C(=NC=NC2=C1F)N1CC(N(CC1)C(=O)OC(C)(C)C)C)Cl | 3 |
FC1=C(C=CC(=C1)C)NC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C=1C=NC=CC1)N(C(OC(C)(C)C)=O)C>Cl>Cl.FC1=C(C=CC(=C1)C)NC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C=1C=NC=CC1)NC | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9](=[O:13])[CH2:10][C:11]#[N:12])[CH:6]=[CH:7][CH:8]=1.[NH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>C(O)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9](=[O:13])[CH2:10][C:11](=[NH:12])[NH:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:6]=[CH:7][CH:8]=1 | 2 |
COC(Cl)Cl.CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)C1=CC=CC=C1>ClCCl.[Ti](Cl)(Cl)(Cl)Cl>CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)C1=CC=C(C=C1)C=O | 3 |
CC1=CC=C(C=C1)S(=O)(=O)O.C1(=CC=CC=C1)C1(CCNCC1)C(=O)O.BrC=1C(N(N(C1CBr)C)C1=CC=CC=C1)=O>CC#N.C([O-])([O-])=O.[K+].[K+]>BrC1=C(N(N(C1=O)C1=CC=CC=C1)C)COC(=O)C1(CCN(CC1)CC=1N(N(C(C1Br)=O)C1=CC=CC=C1)C)C1=CC=CC=C1 | 3 |
[C:1]1([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH2:13])[C:8]=2[NH2:14])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:15][C:16]1[CH:17]=[C:18]([CH:22]=[CH:23][N:24]=1)[C:19](O)=O.C(=O)(O)[O-].[Na+]>O>[C:1]1([C:7]2[CH:12]=[CH:11][N:10]=[C:9]3[NH:13][C:19]([C:18]4[CH:22]=[CH:23][N:24]=[C:16]([NH2:15])[CH:17]=4)=[N:14][C:8]=23)[CH:2]... | 2 |
C[O:2][C:3](=[O:28])[C:4]1[CH:9]=[C:8]([C:10]2[C:15]([C:16]#[C:17][C:18]3[CH:19]=[N:20][C:21]([NH2:24])=[CH:22][CH:23]=3)=[C:14]([CH3:25])[N:13]=[C:12]([NH2:26])[N:11]=2)[CH:7]=[CH:6][C:5]=1[Cl:27].[Li+].[OH-]>C1COCC1.O>[NH2:26][C:12]1[N:11]=[C:10]([C:8]2[CH:7]=[CH:6][C:5]([Cl:27])=[C:4]([CH:9]=2)[C:3]([OH:28])=[O:2])[... | 1 |
COC1=CC2=CC=C(C=C2C=C1)C1=C(C=C(C=C1)OC)[N+](=O)[O-]>C1CCCO1.CO[H].[HH].[Pd]>COC=1C=CC(=C(C1)N)C1=CC2=CC=C(C=C2C=C1)OC | 3 |
C(C1=CC=CC=C1)OC[C@H](NC(=O)OCC1=CC=2C(C3=CC=CC=C3C(C2C=C1)=O)=O)C(=O)O>N(C)(C)C=O.C(O)([O-])=O.[Na+].C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].[Pb+4]>C(C)(=O)OC(COCC1=CC=CC=C1)NC(=O)OCC1=CC=2C(C3=CC=CC=C3C(C2C=C1)=O)=O | 3 |
[CH2:1]([O:8][C:9](=[O:32])[C@@H:10]([NH:24][C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH2:11][CH2:12][C:13]1[NH:17][C:16]2[CH:18]=[C:19]([CH3:23])[C:20]([CH3:22])=[CH:21][C:15]=2[N:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:33][C:34]([F:44])([F:43])[C:35]1[CH:42]=[CH:41][C:38]([CH2:39]Br)=[CH:37][... | 2 |
C(#N)C(C)(C)C=1C=C(C(=O)NC2=C(C=CC(=C2)OC2=CC=C(C=C2)[N+](=O)[O-])C)C=CC1>O.CCO[H].[Cl-].[Ca+2].[Cl-].[Fe]>NC1=CC=C(OC=2C=CC(=C(C2)NC(C2=CC(=CC=C2)C(C)(C)C#N)=O)C)C=C1 | 3 |
Cl\C(\C(=O)OCC)=N/O.C(C)C1=C(NC=2N(C1=O)N=CC2C#N)C>>C(C)C1=C(NC=2N(C1=O)N=CC2C2=NC(=NO2)C(=O)OCC)C | 5 |
[NH2:1][CH2:2][C@@H:3]1[C@@H:8]([CH3:9])[CH2:7][CH2:6][CH2:5][N:4]1[C:10]([C:12]1[N:13]=[C:14]([CH3:24])[S:15][C:16]=1[C:17]1[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=1)=[O:11].Cl[C:26]1[N:31]=[CH:30][C:29]([C:32]([F:35])([F:34])[F:33])=[CH:28][N:27]=1>>[F:23][C:20]1[CH:19]=[CH:18][C:17]([C:16]2[S:15][C:14]([CH3:24]... | 2 |
Br[CH:2]1[CH2:10][C:9]2[C:4](=[CH:5]C=C[CH:8]=2)[C:3]1=[O:11].[NH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23].CCN([CH:33]([CH3:35])[CH3:34])C(C)C.[C]=[O:37]>CN(C=O)C.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.[Fe+2]... | 2 |
[CH:1]1([O:7][N:8]2[C:13]([CH3:15])([CH3:14])[CH2:12][CH:11]([OH:16])[CH2:10][C:9]2([CH3:18])[CH3:17])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:19](Cl)(=[O:23])[C:20]([CH3:22])=[CH2:21].C(N(CC)CC)C>C(Cl)Cl>[CH:1]1([O:7][N:8]2[C:9]([CH3:18])([CH3:17])[CH2:10][CH:11]([O:16][C:19](=[O:23])[C:20]([CH3:22])=[CH2:21])[CH2:12][... | 1 |
FC1(CCC(CC1)NC(C(C1=NN=CN1C(C)C)N(C(=O)[C@@H]1N(C[C@@H](C1)OC)C(=O)OC(C)(C)C)C1=CC=C(C=C1)S(F)(F)(F)(F)F)=O)F>ClCCl.C(=O)(C(F)(F)F)O>FC1(CCC(CC1)NC(C(C1=NN=CN1C(C)C)N(C(=O)[C@@H]1NC[C@@H](C1)OC)C1=CC=C(C=C1)S(F)(F)(F)(F)F)=O)F | 3 |
[I:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][N:3]=1.Cl.CN(C)[CH2:14][CH2:15]CN=C=NCC.C(O)C>ClCCl.CN(C)C1C=CN=CC=1>[I:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([O:8][CH2:14][CH3:15])=[O:7])=[CH:4][N:3]=1 | 1 |
[OH:1][C:2]1[CH:3]=[CH:4][C:5]2[S:9][CH:8]=[CH:7][C:6]=2[CH:10]=1.C([SiH](CC)CC)C>C(O)(C(F)(F)F)=O>[OH:1][C:2]1[CH:3]=[CH:4][C:5]2[S:9][CH2:8][CH2:7][C:6]=2[CH:10]=1 | 1 |
BrC=1C=C2C=CC(=NC2=CC1)C>>BrC=1C=C2C=CC(=NC2=CC1)CC(C)(O)C | 5 |
COC1=C(CCl)C=CC=C1.C(C)(C)OC(N[C@H]1CC2=C(NC=3C=CC(=CC23)C#N)C1)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)OC(N[C@H]1CC2=C(N(C=3C=CC(=CC23)C#N)CC2=C(C=CC=C2)OC)C1)=O | 3 |
[F:1][C:2]1[C:7]([F:8])=[C:6]([O:9][CH2:10][CH2:11][CH3:12])[CH:5]=[CH:4][C:3]=1[C:13]1[CH:18]=[CH:17][C:16]([C:19]2[Se:20][C:21]([CH:24]=[CH2:25])=[CH:22][CH:23]=2)=[CH:15][CH:14]=1>C(OCC)(=O)C.C1(C)C=CC=CC=1.[Pd]>[F:1][C:2]1[C:7]([F:8])=[C:6]([O:9][CH2:10][CH2:11][CH3:12])[CH:5]=[CH:4][C:3]=1[C:13]1[CH:18]=[CH:17][C:... | 1 |
C(OC(=O)[NH:7][C@H:8]1[CH2:13][CH2:12][CH2:11][CH2:10][C@@H:9]1[CH:14]=O)(C)(C)C.[NH:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].[OH-].[Na+].[ClH:39].O1CCOCC1>C(Cl)Cl.O>[ClH:39].[N:17]1([CH2:14][C@H:9]2[CH2:10][CH2:11][CH2:12][CH2:13][C@@H:8]2[NH2:7])[CH2:22][CH2:21][CH2:20][CH2:1... | 2 |
CI.BrC1=CC=C(C=C1)CCCCO>N(C)(C)C=O.[H-].[Na+]>BrC1=CC=C(C=C1)CCCCOC | 3 |
[CH3:1][C@H:2]1[C:9]([S:10][C@@H:11]2[CH2:15][NH:14][C@H:13]([C:16]([N:18]([CH3:20])[CH3:19])=[O:17])[CH2:12]2)=[C:8]([C:21]([OH:23])=[O:22])[N:7]2[C@H:3]1[C@@H:4]([C@H:24]([OH:26])[CH3:25])[C:5]2=[O:6].C1N(CCCS(O)(=O)=O)CC[O:29]C1.[H][H]>O1CCCC1.[Pd]>[CH3:1][C@H:2]1[C:9]([S:10][C@@H:11]2[CH2:15][NH:14][C@H:13]([C:16](... | 2 |
N1=C(C=CC=C1C(=O)O)C(=O)O>>COC(=O)C1=CC=CC(=N1)C(=O)O | 5 |
O1C(COCC1)COC1=NN(C2=CC(=CC=C12)NC1=NN(C2=NC=CC=C21)C2OCCCC2)C>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>O1C(COCC1)COC1=NN(C2=CC(=CC=C12)NC1=NNC2=NC=CC=C21)C | 3 |
COC1=CC=C(C=C1)NC(C1=C(C=CC=C1)N)=O.N1=CC=C(C=C1)N1CCC(CC1)O>C1(=CC=CC=C1)C.ClCCl.O=S(=O)(O)C.C(=O)(Cl)Cl.N1=CC=CC2=CC=CC=C12>COC1=CC=C(C=C1)NC(C1=C(C=CC=C1)NC(=O)OC1CCN(CC1)C1=CC=NC=C1)=O | 3 |
Cl[SiH2]Cl.C[C@@H]1N[C@@H](CCC1)C>C1CCCO1.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC>CC1N(C(CCC1)C)[SiH2]Cl | 3 |
Cl[C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:10]=[CH:11][C:12]([N:16]3[C:20](=[O:21])[NH:19][C:18]([CH2:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[N:17]3)=[N:13][C:14]=2[CH3:15])[CH:5]=[CH:4][N:3]=1.[CH3:27][N:28]1[CH:32]=[C:31](B2OC(C)(C)C(C)(C)O2)[CH:30]=[N:29]1.C([O-])([O-])=O.[K+].[K+].O1CCOCC1>O.C1C=CC([P]([Pd]([P](C2C=CC=CC=... | 1 |
ClC=1C=C(C=C(C1OCCCl)C#N)C(C)(C)C1=CC=C(OCC=2SC=C(N2)C(=O)O)C=C1>O.ClCCl.CCN(CC)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC=1C=C(C=C(C1OCCCl)C#N)C(C)(C)C1=CC=C(OCC=2SC=C(N2)C(=O)N)C=C1 | 3 |
O=C1N(C=CC(=C1)C=1N=NC(=CC1)C(F)(F)F)C=1C=CC=2C3=C(NC2C1)CCCN(C3)C(=O)OC(C)(C)C>CO[H].Cl>Cl.C1NCCCC=2NC=3C=C(C=CC3C21)N2C(C=C(C=C2)C=2N=NC(=CC2)C(F)(F)F)=O | 3 |
[CH2:1]([O:3][C:4]([C:6]1[NH:7][N:8]=[C:9]([O:11][CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH3:18])[CH:10]=1)=[O:5])[CH3:2].[H-].[Na+].Br[CH2:22][C:23]([NH:25][C:26]1[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][N:27]=1)=[O:24].O>CN(C=O)C>[CH2:1]([O:3][C:4]([C:6]1[N:7]([CH2:22][C:23](=[O:24])[NH:25][C:26]2[CH:31]=[CH:30][C... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[CH2:9][S:10]([C:13]1[CH:14]=[C:15]2[C:19](=[CH:20][CH:21]=1)[NH:18][C:17](=[O:22])/[C:16]/2=[CH:23]\[C:24]1[NH:28][C:27]([CH3:29])=[C:26]([C:30]([OH:32])=O)[C:25]=1[CH3:33])(=[O:12])=[O:11].[NH2:34][CH2:35][CH:36]([OH:43])[CH2:37][N:38]1[CH2:42][CH2:41][CH2:40][CH2:3... | 1 |
O=C1C=CNC2=C(C=CC=C12)[N+](=O)[O-]>C1(=CC=NC=C1)N(C)C.C1(=NC(=CC=C1)C)C.ClCCl.[Cl-].[NH4+].FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>[N+](=O)([O-])C=1C=CC=C2C(=CC=NC12)OS(=O)(=O)C(F)(F)F | 3 |
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][CH:10]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[Cs+].[Cs+].[CH:22]1(Br)[CH2:25][CH2:24][CH2:23]1>CN(C=O)C>[CH:22]1([O:15][C:12]2[CH:11]=[CH:10][C:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[CH:14][CH:13]=2)[CH2:25][CH2:24][CH... | 1 |
C(C)(C)C1=C(NC2=CC=C(C=C12)C1CCC(CC1)(C)NC(CN(C(OC(C)(C)C)=O)C)=O)C=1C=C(C=2N(C1)N=CN2)OC>Cl.O1CCOCC1>C(C)(C)C1=C(NC2=CC=C(C=C12)C1CCC(CC1)(C)NC(CNC)=O)C=1C=C(C=2N(C1)N=CN2)OC | 3 |
BrC=1C(=NC=NC1)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>CC1=NC=NC=C1B1OC(C(O1)(C)C)(C)C | 3 |
O1CCC(CC1)C=O.N(N)C=1N=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2>CO[H].ClCCl.[OH-].[Na+].C(C)(=O)O[IH]C1=C(C=CC=C1)[IH]OC(C)=O>O1CCC(CC1)C1=NN=C2N1C1=C(N=C2)NC=C1 | 3 |
O1C(CCCC1)OCCO.CCOC(=O)/N=N/C(=O)OCC.C1(=CC=CC=C1)C.ClC=1C(N(C(=C(C1)Cl)COC1=CC(=CC=C1)O)CCC1=CC=C(C(=O)OC(C)(C)C)C=C1)=O>>ClC=1C(N(C(=C(C1)Cl)COC1=CC(=CC=C1)OCCOC1OCCCC1)CCC1=CC=C(C(=O)OC(C)(C)C)C=C1)=O | 5 |
ClC1=NC(=CC=C1OCC(=O)OC(C)(C)C)I>[Cu]I.N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].CS(=O)(=O)N.CN[C@H]1[C@@H](CCCC1)NC>ClC1=NC(=CC=C1OCC(=O)OC(C)(C)C)NS(=O)(=O)C | 3 |
S1C(=CC=C1)CC(=O)Cl.O=C1O[C@H](CN1C=1C=CC2=C(CCCCC2=O)C1)CNC(C)=O>>O=C1O[C@H](CN1C=1C=CC2=C(CCCC(C2=O)C(CC=2SC=CC2)=O)C1)CNC(C)=O | 5 |
Cl.[C:2]1([CH2:8][N:9]2[CH2:14][CH2:13][CH:12]([CH2:15][C:16](O)=O)[CH2:11][CH2:10]2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:19]1([NH2:26])[C:20]([NH2:25])=[CH:21][CH:22]=[CH:23][CH:24]=1.[OH-].[K+]>O>[C:2]1([CH2:8][N:9]2[CH2:14][CH2:13][CH:12]([CH2:15][C:16]3[NH:26][C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=4[N:25]=3)[... | 1 |
C(C)OC1=CC=2N(C=C1)C(=C(N2)CCC2=CC1=C(N=C(O1)N)C=C2)C>CCO[H].Cl.C(C)(=O)OCC>Cl.Cl.C(C)OC1=CC=2N(C=C1)C(=C(N2)CCC2=CC1=C(N=C(O1)N)C=C2)C | 3 |
[NH2:1][C:2]1[C:11]2[CH:10]=[CH:9][C:8]([F:12])=[C:7](I)[C:6]=2[N:5]=[C:4]2[CH2:14][N:15]([CH2:18][CH2:19][CH3:20])[C:16](=[O:17])[C:3]=12.[F:21][C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([O:28][CH3:29])[C:23]=1B(O)O>>[NH2:1][C:2]1[C:11]2[CH:10]=[CH:9][C:8]([F:12])=[C:7]([C:23]3[C:24]([O:28][CH3:29])=[CH:25][CH:26]=[CH:27][C... | 2 |
Cl.Cl.C[C@@H]1C[C@H](C=2N=CN=C(C21)N2CCNCC2)O.C(C)(C)(C)OC(=O)NC[C@@H](C(=O)O)C1=CC=C(C=C1)Cl>ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>ClC1=CC=C(C=C1)[C@@H](CNC(OC(C)(C)C)=O)C(=O)N1CCN(CC1)C=1C2=C(N=CN1)[C@@H](C[C@H]2C)O | 3 |
Cl.C1(NN)C=CC=CC=1.FC1C=CC=C[C:12]=1[C:13](C(CC)C(O)=O)=[O:14].[F:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[CH:32]1[CH:40]([CH2:41][CH2:42][C:43]([OH:45])=O)[C:39]2[C:34](=[CH:35][CH:36]=[CH:37][CH:38]=2)[NH:33]1>>[C:13]([N:33]1[C:34]2[CH:35]=[CH:36][CH:37]=[C:38]3[C:43](=[O:45])[CH2:42][CH2:41][CH:40]([C:39]=23... | 1 |
FC=1C(=CC=2N(C(C=C(N2)C(F)(F)F)=O)C1)OC>CC#N.O.BrN1C(CCC1=O)=O.C(C)(=O)OCC>BrC1=C(N=C2N(C1=O)C=C(C(=C2)OC)F)C(F)(F)F | 3 |
O=C1N(C2=CC=CC=C2C12COC1=CC3=C(OCCO3)C=C12)CC1CCN(CC1)C(=O)OC(C)(C)C>>Cl.N1CCC(CC1)CN1C(C2(C3=CC=CC=C13)COC1=CC3=C(OCCO3)C=C12)=O | 5 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)N[C@](C(=O)OC)(CC1C(NCC1)=O)C)CC1CC1>CO[H].Cl>N[C@H](C(=O)N[C@](C(=O)OC)(CC1C(NCC1)=O)C)CC1CC1 | 3 |
C(C1C=C(C2ON=C(C3C=C(C)C(OCC(O)CNC(=O)CO)=C(C)C=3)N=2)C=CC=1)=O.[CH2:32]([C:34]1[CH:35]=[C:36]([CH:40]=[CH:41][C:42]=1[CH:43]=[O:44])[C:37]([OH:39])=O)[CH3:33].[CH2:45]([C:47]1[CH:62]=[C:61]([C:63](=[NH:66])[NH:64]O)[CH:60]=[C:59]([CH3:67])[C:48]=1[O:49][CH2:50][C@@H:51]([OH:58])[CH2:52][NH:53][C:54](=[O:57])[CH2:55][O... | 1 |
BrC1=CC=C(C#N)C=C1.C[Si]([Si](C)(C)C)(C)C.CC1N=CNC1C>>C[Si](C1=CC=C(C#N)C=C1)(C)C | 5 |
Br[C:2]1[C:3]2[C:4]([S:20][C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)=[C:5]3[CH:14]([CH2:15][C:16]([O:18]C)=[O:17])[CH2:13][CH2:12][N:6]3[C:7]=2[CH:8]=[C:9]([F:11])[CH:10]=1.[CH2:28]([Sn](CCCC)(CCCC)C=C)[CH2:29]CC>>[Cl:27][C:24]1[CH:23]=[CH:22][C:21]([S:20][C:4]2[C:3]3[C:2]([CH:28]=[CH2:29])=[CH:10][C:9]([F... | 2 |
[N:1]#[C:2]Br.O.[C:5]1([OH:11])[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.C(N(CC)CC)C>C(OCC)(=O)C.C(Cl)(Cl)(Cl)Cl>[O:11]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[C:2]#[N:1] | 2 |
NC1=CN(N=N1)SCC1=CC=CC=C1>O.[OH-].[Na+].[N+](=O)([O-])[O-].[Ag+]>[Ag].NC1=CN(N=N1)SCC1=CC=CC=C1 | 3 |
CC1[N:3]([C:8]2[CH:13]=[C:12]([CH3:14])[CH:11]=[C:10]([CH2:15][CH2:16][C:17]3[CH:18]=[N:19][CH:20]=[C:21]([C:23]#[C:24][C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][N:26]=4)[CH:22]=3)[N:9]=2)C(C)=CC=1.NO.Cl>[Pd].CO.C(Cl)Cl>[CH3:14][C:12]1[CH:11]=[C:10]([CH2:15][CH2:16][C:17]2[CH:18]=[N:19][CH:20]=[C:21]([CH2:23][CH2:24][C:25]3... | 2 |
Cl[CH2:2][CH2:3][C:4]([N:6]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[C:10](=[O:17])[N:9]([CH3:18])[C:8]2[CH:19]=[CH:20][CH:21]=[CH:22][C:7]1=2)=[O:5].[CH3:23][CH:24]1[CH2:29][CH2:28][CH2:27][CH:26]([CH3:30])[NH:25]1>C(O)(C)C>[CH3:23][CH:24]1[CH2:29][CH2:28][CH2:27][CH:26]([CH3:30])[N:25]1[CH2:2][CH2:3][C:4]([N:6]1... | 1 |
[F:1][C:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:5]=[CH:4][C:3]=1[C:12](=[N:19][O:20][CH2:21][C:22]1[N:27]=[C:26]([NH2:28])[CH:25]=[CH:24][CH:23]=1)[C:13]1[N:17]([CH3:18])[N:16]=[N:15][N:14]=1.C(N(CC)CC)C.[C:36](Cl)(=[O:42])[CH2:37][CH2:38][CH2:39][CH2:40][CH3:41]>O1CCOCC1>[F:1][C:2]1[C:7]([C:8]([F:9])([F:11])[F:... | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:14])[C:10]([F:13])([F:12])[F:11])=[CH:4][C:3]=1[F:15].[Li]CCCC.CCCCCC.[B:27](OC(C)C)([O:32]C(C)C)[O:28]C(C)C>C1COCC1>[Cl:1][C:2]1[C:3]([F:15])=[C:4]([B:27]([OH:32])[OH:28])[C:5]([NH:8][C:9](=[O:14])[C:10]([F:12])([F:13])[F:11])=[CH:6][CH:7]=1 | 2 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1CC1>Cl.O1CCOCC1>Cl.Cl.C1(CC1)N1CCNCC1 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]=[C:9]2[S:13][CH2:12][C:11]3([CH2:17][CH2:16][CH2:15][CH2:14]3)[NH:10]2)=[C:4]([CH3:18])[CH:3]=1.[CH:19]1(Br)[CH2:23][CH2:22][CH2:21][CH2:20]1>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]=[C:9]2[S:13][CH2:12][C:11]3([CH2:17][CH2:16][CH2:15][CH2:14]3)[N:10]2[CH:19]2[CH2:23][CH2:22][CH2:21][C... | 1 |
[OH-].[Na+].[NH:3]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([OH:14])(=[O:13])=[O:12])=[CH:7][CH:6]=1)[NH2:4].[C:15]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)(=O)[CH3:16]>O>[C:18]1(/[C:15](=[N:4]/[NH:3][C:5]2[CH:10]=[CH:9][C:8]([S:11]([OH:14])(=[O:12])=[O:13])=[CH:7][CH:6]=2)/[CH3:16])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]... | 1 |
C(C)OC(CBr)OCC.NC=1N=NC(=CC1)Cl>>ClC=1C=CC=2N(N1)C=CN2 | 5 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH2:6][NH2:7].[CH3:8][C:9]([CH3:14])([CH3:13])[C:10](Cl)=[O:11].C(O)C(N)(CO)CO>C(Cl)Cl>[CH3:8][C:9]([CH3:14])([CH3:13])[C:10]([NH:7][CH2:6][C:2]1[S:1][CH:5]=[CH:4][CH:3]=1)=[O:11] | 2 |
Cl.FC1(CCNCC1)F.ClC1=CC=C(C(=N1)C)F>O1CCOCC1.CC(C)(C)[O-].[Na+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>FC1(CCN(CC1)C1=CC=C(C(=N1)C)F)F | 3 |
OS(C(F)(F)F)(=O)=O.[C:9](=[NH:32])([O:11][CH2:12][CH2:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[C:23]([C:28]([F:31])([F:30])[F:29])[CH:22]=2)=[CH:16][CH:15]=1)[NH2:10].[OH:33]/[CH:34]=[C:35](/[CH2:40][C:41]1[CH:42]=[N:43][CH:44]=[N:45][CH:46]=1)\[C:36](OC)=O.C([O-])(=O)C.[K+]>C1(C)C=C... | 1 |
[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13](Cl)=[N:14][CH:15]=[N:16]2)=[CH:11][C:10]=1[O:20][CH3:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][C:30]([C:32]2([C:35]([NH:37][C:38]3[CH:43]=[CH:42][C:41]([OH:44])=[C:40]([F:45])[CH:39]=3)=[O:36])[CH2:34][CH2:33]2)=[O:31])=[CH:25... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:12]([OH:14])=O)[CH:5]=[N:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.O[NH:49][C:50]([C:52]1[CH:53]=[C:54]2[C:58](=[CH:59][C:60]=1[CH3:61])[NH:57][N:56]=[CH:55]2)=[NH:51]>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[O:14][N:49]=[C... | 2 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH3:7].C([Li])CCC.[Cl:13][C:14]1[CH:15]=[C:16]([CH:19]=[CH:20][CH:21]=1)[CH:17]=[O:18].[Cl-].[NH4+]>O1CCCC1.CCCCCC>[Cl:13][C:14]1[CH:15]=[C:16]([CH:17]([OH:18])[CH2:7][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)[CH:19]=[CH:20][CH:21]=1 | 1 |
C(C)(C)(C)C1=C(C=CC=C1)OC.CC(CC(C(=O)O)=C)C>>C(C)(C)(C)C1=C(C=C2CC(C(C2=C1)=O)CC(C)C)OC | 3 |
OC1C(C)=C2C(=C(C)C=1C)OC(C)(C(O)=O)CC2.C(=O)([O-])[O-].[K+].[K+].C(Cl)C1C=CC=CC=1.[CH2:33]([O:40][C:41]1[C:42]([CH3:64])=[C:43]2[C:48](=[C:49]([CH3:52])[C:50]=1[CH3:51])[O:47][C:46]([CH3:63])([C:53]([O:55]CC1C=CC=CC=1)=[O:54])[CH2:45][CH2:44]2)[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.[OH-].[Na+]>O.CS(C)=O>[CH2:33... | 1 |
C=1(C=CC=C2C1C=CCCC2)C(=O)O.NC(C(O)C1=CC=C(C=C1)OC1=CC=CC=C1)CC1=CC(=CC=C1)OC(C(F)F)(F)F>CC#N.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>OC(C(CC1=CC(=CC=C1)OC(C(F)F)(F)F)NC(=O)C=1C=CC=C2C1C=CCCC2)C2=CC=C(C=C2)OC2=CC=CC=C2 | 3 |
NC=1N=[N+](C2=C(N1)C=CC(=C2)O)[O-]>N(C)(C)C=O.CO[H].[HH].C(C)(=O)OCC.[Pd]>NC=1N=NC2=C(N1)C=CC(=C2)O | 3 |
C1(CC1)C(=O)Cl.Cl.Cl.ClC1=C(C(=O)NC2=CC(=CC=C2)NC2CCN(CC2)C)C=CC(=C1)F>>Cl.ClC1=C(C(=O)NC2=CC(=CC=C2)N(C2CCN(CC2)C)C(=O)C2CC2)C=CC(=C1)F | 5 |
ClS(=O)(=O)O.CC1=CSC2=C1C=C(C=C2)C>>ClS(=O)(=O)C1=C(C2=C(S1)C=CC(=C2)C)C | 5 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12]([NH:14][C@@H:15]([CH2:19][CH3:20])[CH2:16][CH2:17][OH:18])=[O:13])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2]>CC(=O)OCC>[C:1]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12]([NH:14][C@@H:15]([CH2:19][CH3:20])[CH2:16][CH:17]=[O:18])=[O:13])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2] | 2 |
C(C1=CC=CO1)N.ClC1=C(OCC(=O)NC=2C=C(C(=O)O)C=CN2)C=CC(=C1)Cl>>ClC1=C(OCC(=O)NC=2C=C(C(=O)NCC=3OC=CC3)C=CN2)C=CC(=C1)Cl | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([OH:13])[C:9]([F:12])([F:11])[F:10])=[C:4]([F:14])[CH:3]=1.I(C1C=CC=CC=1C(O)=O)(=O)=O>C(OCC)(=O)C>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:13])[C:9]([F:12])([F:11])[F:10])=[C:4]([F:14])[CH:3]=1 | 1 |
BrC=1SC2=C(N1)C=C(C(=C2OS(=O)(=O)C(F)(F)F)C(C(=O)OCC)=O)C>>BrC=1SC2=C(N1)C=C(C(=C2OS(=O)(=O)C(F)(F)F)[C@@H](C(=O)OCC)O)C | 5 |
C(CCCCl)(Cl)=O.C(C)(C)(C)O>>ClCCCC(=O)OC(C)(C)C | 5 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([C:11]([O:13]CC3C=CC=CC=3)=[O:12])=[CH:8][CH:9]=2)[CH2:4][C:3]1=[O:21]>C(OCC)(=O)C.CO.[Pd]>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([C:11]([OH:13])=[O:12])=[CH:8][CH:9]=2)[CH2:4][C:3]1=[O:21] | 1 |
CN(C)[C:3]([C:5]1([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH2:7][CH2:6]1)=[O:4].[CH3:15][Li].[Cl-].[NH4+]>C1COCC1>[C:8]1([C:5]2([C:3](=[O:4])[CH3:15])[CH2:7][CH2:6]2)[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[N:19]3[N:20]=[C:21]([NH2:23])[N:22]=[C:18]3[CH:17]=[C:16]([C:24]3[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=3)[CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].S([N:40]=[C:41]=[O:42])(C1C=CC(C)=CC=1)(=O)=O.[CH2:43](N)[CH3:44]>CN(C=O)C.C1COCC1>[C:1]([O:5][C:6]([N... | 1 |
[CH2:1]([C:3]1[CH:8]=[C:7]([C:9]([F:18])([C:14]([F:17])([F:16])[F:15])[C:10]([F:13])([F:12])[F:11])[CH:6]=[C:5]([CH3:19])[C:4]=1[NH:20][C:21]([C:23]1[CH:24]=[C:25]2[C:29](=[CH:30][CH:31]=1)[C:28](=O)[CH2:27][CH2:26]2)=[O:22])[CH3:2].C([O-])(=O)C.[Na+].Cl.[NH2:39][OH:40]>C(O)C.O>[CH2:1]([C:3]1[CH:8]=[C:7]([C:9]([F:18])(... | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][C:10]2([CH2:14][OH:15])[CH2:13][CH2:12][CH2:11]2)[CH:5]=[CH:4][N:3]=1.C([O-])(=O)C.[Na+].[Br:21]Br.N>C(O)(=O)C.O>[NH2:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][C:10]2([CH2:14][OH:15])[CH2:13][CH2:12][CH2:11]2)[C:5]([Br:21])=[CH:4][N:3]=1 | 1 |
Br[C:2]1[C:3]([C:9]([O:11][CH3:12])=[O:10])=[CH:4][C:5]([F:8])=[N:6][CH:7]=1.C([Sn](CCCC)(CCCC)[C:18]1[N:19]=[CH:20][N:21]([C:23]([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH:22]=1)CCC>CC#N.O>[F:8][C:5]1[CH:4]=[C:3]([C:... | 2 |
ClCC(=O)OC(CCl)=O.COC(C1=CC(=C(C=C1)N)NC)=O>C1CCCO1>ClCC1=NC2=C(N1C)C=C(C=C2)C(=O)OC | 3 |
Br[C:2]1[N:28]=[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][O:11][C:12]3[CH:17]=[CH:16][C:15]([C@@H:18]([C:25]#[C:26][CH3:27])[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:14][CH:13]=3)=[CH:9][N:4]2[N:3]=1.[CH:29]([C:32]1[CH:37]=[CH:36][C:35](B(O)O)=[CH:34][CH:33]=1)([CH3:31])[CH3:30].C([O-])([O-])=O.[K+].[K+]>C1(C)C=CC=CC=1... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:22]2[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=2)[CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:18][CH2:17][NH:16][CH:15]([C:19]([NH2:21])=[O:20])[CH2:14]2)=[CH:4][CH:3]=1.[Cl:29][CH2:30][C:31]([NH:33][C:34]1[CH:39]=[C:38]([F:40])[CH:37]=[CH:36][C:35]=1[CH3:41])=[O:32].C(=O)([O-])[... | 1 |
C(OC([N:8]1[CH2:15][C@H:14]2[N:16](C(OC(C)(C)C)=O)[C@H:10]([CH2:11][C:12]([C:27]3[CH:32]=[CH:31][C:30]([O:33][CH2:34][CH2:35][O:36][C:37]4[C:42]([Cl:43])=[CH:41][C:40]([CH3:44])=[CH:39][C:38]=4[Cl:45])=[CH:29][CH:28]=3)=[C:13]2[C:24](O)=[O:25])[CH2:9]1)=O)(C)(C)C.[CH:46]1([NH:49][CH2:50][C:51]2[CH:56]=[C:55]([CH2:57][C... | 1 |
O.C(CC(O)(C(=O)O)CC(=O)O)(=O)O.CN1N=CC=C1C(OCCN(C)C)C1=CC=CC=C1>CO[H]>C(=O)(O)C(CC(=O)[O-])(CC(=O)O)O.C[NH+](CCOC(C1=CC=CC=C1)C1=CC=NN1C)C | 3 |
Cl[CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[CH2:11][CH2:12][CH2:13][CH2:14][C:7]2=[N:6][C:5]=1[CH3:15].Cl.[F:17][C:18]1[CH:32]=[C:31]([F:33])[CH:30]=[CH:29][C:19]=1[C:20](=[N:27][OH:28])[CH:21]1[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1.C(=O)([O-])O.[Na+]>C(#N)C.[I-].[K+]>[F:17][C:18]1[CH:32]=[C:31]([F:33])[CH:30]=[CH:29]... | 1 |
[CH:1]([N:4]1[C:9](=[O:10])[CH:8]=[CH:7][C:6]([CH:11]([NH:20][C:21](=[O:31])[CH2:22][NH:23]C(=O)OC(C)(C)C)[C:12](=O)[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[N:5]1)([CH3:3])[CH3:2]>Cl.CO.N1C=CC=CC=1>[OH:31][C:21]1[N:20]=[C:11]([C:6]2[CH:7]=[CH:8][C:9](=[O:10])[N:4]([CH:1]([CH3:3])[CH3:2])[N:5]=2)[C:12]([C:13]2[C... | 1 |
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