smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(O[C:4]1[CH:9]=[CH:8][N:7]=[C:6]([N:10]2[CH2:14][CH2:13][CH2:12][CH2:11]2)[N:5]=1)C.O=P(Cl)(Cl)[Cl:17]>CN(C=O)C>[Cl:17][C:4]1[CH:9]=[CH:8][N:7]=[C:6]([N:10]2[CH2:14][CH2:13][CH2:12][CH2:11]2)[N:5]=1 | 1 |
BrCC(=O)OCC.CC(C#N)C#N>C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(C)OC(=O)CC(C#N)(C#N)C | 3 |
C(C)NC1=C(C=CC=C1)[N+](=O)[O-]>CCO[H].Cl.N(=O)[O-].[Na+].[C-]#N.[K+].[Cu+].[C-]#N>C(C)C1=C(C#N)C(=CC=C1)[N+](=O)[O-] | 3 |
ClC1=C(C=C(C(=O)O)C=C1)F.N[C@H]1CC[C@H](CC1)NC1=NC(=CC(=N1)N(C)C)C>>Cl.ClC1=C(C=C(C(=O)N[C@@H]2CC[C@@H](CC2)NC2=NC(=CC(=N2)N(C)C)C)C=C1)F | 5 |
NC1CN(CCC1F)C(=O)OC(C)(C)C.CC=1C(=C2C=CC=C(C2=CC1)NS(=O)(=O)CCC)OC1=NC=CC=C1C1=NC(=NC=C1)S(=O)C>ClCCl.O1CCOCC1.C(C)(C)N(C(C)C)CC>FC1C(CN(CC1)C(=O)OC(C)(C)C)NC1=NC=CC(=N1)C=1C(=NC=CC1)OC1=C(C=CC2=C(C=CC=C12)NS(=O)(=O)CCC)C | 3 |
CC1(OB(OC1(C)C)C1=C(C=CC(=C1)[N+](=O)[O-])C)C.BrC=1C=C(C(=NC1)OCC[Si](C)(C)C)C1(COC1)O>O.C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+].COCCOC.ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1=C(C=C(C=C1)[N+](=O)[O-])C=1C=C(C(=NC1)OCC[Si](C)(C)C)C1(COC1)O | 3 |
C1=CC=CC=C1.C(C)(=O)OCC(=O)N1CC2=CC=C(C=C2CC1)Br.[Si](C)(C)(C(C)(C)C)OCCC1=CC=C(C=C1)B(O)O>>OCC(=O)N1CC2=CC=C(C=C2CC1)C1=CC=C(C=C1)CCO | 5 |
O=[C:2]([C:8]1[CH:13]=[CH:12][C:11]([S:14]([NH2:17])(=[O:16])=[O:15])=[CH:10][CH:9]=1)[CH2:3][C:4](=O)[CH2:5][CH3:6].[F:18][C:19]1[CH:25]=[CH:24][C:22]([NH2:23])=[CH:21][CH:20]=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[F:18][C:19]1[CH:25]=[CH:24][C:22]([N:23]2[C:5]([CH3:6])=[CH:4][CH:3]=[C:2]2[C:8]2[CH:13]=[CH:12][C:11]([S:14]([NH2:17])(=[O:16])=[O:15])=[CH:10][CH:9]=2)=[CH:21][CH:20]=1 | 1 |
[CH:1]1([N:4]2[CH2:9][C:8]3([CH2:14][CH2:13][N:12]([CH:15]([C:19]4[CH:24]=[CH:23][C:22]([C:25]5[CH:34]=[C:33]6[C:28]([CH:29]=[CH:30][CH:31]=[N:32]6)=[CH:27][CH:26]=5)=[CH:21][C:20]=4[F:35])[C:16]([OH:18])=O)[CH2:11][CH2:10]3)[O:7][CH2:6][C:5]2=[O:36])[CH2:3][CH2:2]1.Cl.C[N:39](C)CCCN=C=NCC.[Br-].[NH4+]>ClCCl.CN(C)C1C=CN=CC=1>[CH:1]1([N:4]2[CH2:9][C:8]3([CH2:14][CH2:13][N:12]([CH:15]([C:19]4[CH:24]=[CH:23][C:22]([C:25]5[CH:34]=[C:33]6[C:28]([CH:29]=[CH:30][CH:31]=[N:32]6)=[CH:27][CH:26]=5)=[CH:21][C:20]=4[F:35])[C:16]([NH2:39])=[O:18])[CH2:11][CH2:10]3)[O:7][CH2:6][C:5]2=[O:36])[CH2:2][CH2:3]1 | 1 |
Cl.ClCC=1N(C=CN1)C.ClC=1C=C2C3=C(NC2=C(C1)C1=CC=C(C=C1)O)C(=NC=C3)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC=1C=C2C3=C(NC2=C(C1)C1=CC=C(C=C1)OCC=1N(C=CN1)C)C(=NC=C3)C | 3 |
FC1=CC=C(C=C1)C(CN1CCN(CC1)CCCC(C(C1=CC=CC=C1)=O)Br)N1CCN(CC1)C(C)C>>FC1=CC=C(C=C1)C(CN1CCN(CC1)CCCC1=C(N=C(S1)N)C1=CC=CC=C1)N1CCN(CC1)C(C)C | 5 |
C(C1=CC=CC=C1)N1CC(CC1)=O.NC1=CC(=CC(=N1)C)C>>C(C1=CC=CC=C1)N1CC(CC1)NC1=NC(=CC(=C1)C)C | 5 |
[CH2:1]([N:8]1[CH2:13][CH2:12][C:11](=[O:14])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[O:15]=[C:16]1[NH:20][C@H:19]([CH2:21][C:22]2[CH:23]=[C:24]3[C:28](=[CH:29][CH:30]=2)[NH:27][CH:26]=[CH:25]3)[CH2:18][O:17]1>C(O)(=O)C>[OH2:14].[CH2:1]([N:8]1[CH2:13][CH:12]=[C:11]([C:25]2[C:24]3[C:28](=[CH:29][CH:30]=[C:22]([CH2:21][C@@H:19]4[CH2:18][O:17][C:16](=[O:15])[NH:20]4)[CH:23]=3)[NH:27][CH:26]=2)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(CC(C)C)=O.BrC1=CC(=C(C=C1)NN)C>ClCCl.CCO[H].[Cl-].[Zn+2].[Cl-]>BrC=1C=C2C(=CNC2=C(C1)C)C(C)C | 3 |
[H-].[Li+].[Al+3].[H-].[H-].[H-].[C:7]([CH2:9][C:10]1[CH:16]=[CH:15][C:13]([NH2:14])=[CH:12][C:11]=1[F:17])#[N:8].O.[OH-].[Na+]>C(OCC)C.S(=O)(=O)(O)O>[NH2:8][CH2:7][CH2:9][C:10]1[CH:16]=[CH:15][C:13]([NH2:14])=[CH:12][C:11]=1[F:17] | 1 |
BrCOC.FC1=CC=C2C=C(C=C(C2=C1C#C[Si](C(C)C)(C(C)C)C(C)C)O)O>O.ClCCl.C(C)(C)N(C(C)C)CC>FC1=CC=C2C=C(C=C(C2=C1C#C[Si](C(C)C)(C(C)C)C(C)C)O)OCOC | 3 |
ClC(=O)N(C1CCN(CC1)C(=O)OC(C)(C)C)CC1=C(C=C(C=C1)F)F.NCC1=CC=C(OCC(C(C)C)(O)C)C=C1>ClCCl.[OH-].[Na+].C(C)(C)N(C(C)C)CC>FC1=C(C=CC(=C1)F)CN(C1CCN(CC1)C(=O)OC(C)(C)C)C(NCC1=CC=C(C=C1)OCC(C(C)C)(C)O)=O | 3 |
[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C([C@@]4(C)CC[C@@H]3[C@@]12C)CO)O[Si](C)(C)C(C)(C)C.Br\C=C\CC(C)(C)O[Si](CC)(CC)CC>>[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C([C@@]4(C)CC[C@@H]3[C@@]12C)CO\C=C\CC(C)(C)O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C | 5 |
FC=1C=CC(=NC1I)OC1CCN(CC1)C(=O)OC(C)(C)C.[Br-].ClC1=CC(=C(C[Zn+])C=C1)F>O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CN(C(C)=O)C.C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1>ClC1=CC(=C(CC2=C(C=CC(=N2)OC2CCN(CC2)C(=O)OC(C)(C)C)F)C=C1)F | 3 |
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]([CH2:6][C:7]2[C:16]([OH:17])=[CH:15][CH:14]=[C:13]3[C:8]=2[C:9](=[O:24])[N:10]([CH2:20][CH2:21][CH2:22][OH:23])[C:11](=[O:19])[N:12]3[CH3:18])=[CH:4][CH:3]=1.I[CH2:28][CH3:29].C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][C:7]2[C:16]([O:17][CH2:28][CH3:29])=[CH:15][CH:14]=[C:13]3[C:8]=2[C:9](=[O:24])[N:10]([CH2:20][CH2:21][CH2:22][OH:23])[C:11](=[O:19])[N:12]3[CH3:18])=[CH:25][CH:26]=1 | 2 |
C[Si](C)(C)C=[N+]=[N-].C(C)(C)(C)OC(=O)N1CC(=C(CC1)C1=CC=CC=C1)C(=O)O>C1CCCO1.CO[H]>COC(=O)C=1CN(CCC1C1=CC=CC=C1)C(=O)OC(C)(C)C | 3 |
CSC1=NC=C(C(=N1)C(=O)N)C#CC>C1(=CC=CC=C1)C.CO[H].N.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1=CC2=C(N=C(N=C2)SC)C(N1)=O | 3 |
[C:1]1([C:7]2[S:8][CH:9]=[CH:10][N:11]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[N+:12]([O-])([OH:14])=[O:13]>S(=O)(=O)(O)O>[N+:12]([C:4]1[CH:3]=[CH:2][C:1]([C:7]2[S:8][CH:9]=[CH:10][N:11]=2)=[CH:6][CH:5]=1)([O-:14])=[O:13] | 1 |
CC1=NN(C2=NC=C(C=C21)O)C2OCCCC2.BrC1=CC=C(C(=C1C#N)CBr)F>CC#N.C([O-])([O-])=O.[K+].[K+]>BrC1=CC=C(C(=C1C#N)COC=1C=C2C(=NC1)N(N=C2C)C2OCCCC2)F | 3 |
BrC=1N=C(C(N(C1)C)=O)NC=1C=C2CCN(CC2=CC1)C.C(C)(=O)OCC1=C(C=C(C=C1B1OC(C(O1)(C)C)(C)C)F)N1C(C=2SC=3CC(CC3C2CC1)(C)C)=O>CC#N.O.C(C)(=O)[O-].[Na+].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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(=O)OCC1=C(C=C(C=C1C=1N=C(C(N(C1)C)=O)NC=1C=C2CCN(CC2=CC1)C)F)N1C(C=2SC=3CC(CC3C2CC1)(C)C)=O | 3 |
ClCC(=O)C1=CC=CC=C1.COC1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(C=C1)NC(=S)N>C(C)(=O)O.C(C)(=O)[O-].[Na+]>COC1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(C=C1)NC=1SC=C(N1)C1=CC=CC=C1 | 3 |
[C:1]([NH:4][CH:5]([C:11]([O:13]CC)=O)[C:6]([O:8]CC)=O)(=[O:3])[CH3:2].Cl.[C:17]([NH2:20])(=[NH:19])[CH3:18].C[O-].[Na+]>CO>[OH:8][C:6]1[C:5]([NH:4][C:1](=[O:3])[CH3:2])=[C:11]([OH:13])[N:20]=[C:17]([CH3:18])[N:19]=1 | 2 |
[CH:1](=[O:9])[C:2]1[C:3](=[CH:5][CH:6]=[CH:7][CH:8]=1)[OH:4].[K].Cl[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[N+:18]([O-])=O>>[CH:8]1[C:2]2[C:1](=[O:9])[NH:18][C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[O:4][C:3]=2[CH:5]=[CH:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)OC1(CC1)C1=NC=CC(=N1)C1=NC=C(C(=C1)N1C(C(=C(C=C1C)OCC1=NC=C(C=C1F)F)Cl)=O)C>C1(=CC=CC=C1)C.[Al](Cl)(Cl)Cl>ClC=1C(N(C(=CC1OCC1=NC=C(C=C1F)F)C)C1=CC(=NC=C1C)C1=NC(=NC=C1)C1(CC1)O)=O | 3 |
Cl.Cl.[CH3:3][C:4]1[N:9]=[CH:8][N:7]=[C:6]([N:10]2[CH2:15][CH2:14][CH:13]([NH2:16])[CH2:12][CH2:11]2)[CH:5]=1.[OH-].[Na+]>C(Cl)Cl>[CH3:3][C:4]1[N:9]=[CH:8][N:7]=[C:6]([N:10]2[CH2:15][CH2:14][CH:13]([NH2:16])[CH2:12][CH2:11]2)[CH:5]=1 | 1 |
NC=1C=C(C=CC1)S.BrC(C(=O)OC)(C)C>>NC=1C=C(C=CC1)SC(C(=O)OC)(C)C | 5 |
BrC1=CC(=C(C(=O)O)C(=C1)F)F.C(CC)OC([C@H](CC1=CC=C(C=C1)C=1C(N(C(N(C1C)C)=O)C)=O)N)=O>N(C)(C)C=O.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>C(CC)OC([C@H](CC1=CC=C(C=C1)C=1C(N(C(N(C1C)C)=O)C)=O)NC(C1=C(C=C(C=C1F)Br)F)=O)=O | 3 |
C(C)(C)(C)[Si](C)(C)Cl.FC(C(C)NCCO)(F)F>>[Si](C)(C)(C(C)(C)C)OCCNC(C(F)(F)F)C | 5 |
[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:29]=[CH:28][C:11]([C:12]([NH:14][CH:15]3[CH2:20][CH2:19][NH:18][CH2:17][CH:16]3[C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=3)=[O:13])=[CH:10][N:9]=2)[CH:5]=[CH:6][CH:7]=1.[C:30](OC(=O)C)(=[O:32])[CH3:31]>C(Cl)Cl.CN(C1C=CN=CC=1)C.O>[C:30]([N:18]1[CH2:19][CH2:20][CH:15]([NH:14][C:12](=[O:13])[C:11]2[CH:28]=[CH:29][C:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=3)=[N:9][CH:10]=2)[CH:16]([C:21]2[CH:22]=[CH:23][C:24]([F:27])=[CH:25][CH:26]=2)[CH2:17]1)(=[O:32])[CH3:31] | 1 |
CC=1C=C(C=CC1OC1=CC2=C(N(C=N2)C)C=C1)NC=1C2=C(N=CN1)C=NC(=N2)S(=O)(=O)C.Cl.C12OCCNC2C1>>[C@H]12OCCN([C@@H]2C1)C=1N=CC=2N=CN=C(C2N1)NC1=CC(=C(C=C1)OC1=CC2=C(N(C=N2)C)C=C1)C | 5 |
OC1CN(C1)C1=CC=C(C(=O)NC(C)C)C=C1>>C(C)(C)NC(C1=CC=C(C=C1)N1CC(C1)=O)=O | 5 |
N1(C=NC=C1)C1=NC=C(C(=O)O)C=C1.Cl.C(C=C)OC[C@H]1CN(CCC1)C[C@@H]1[C@H](CCCC1)N>N(C)(C)C=O.Cl.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)OC[C@H]1CN(CCC1)C[C@@H]1[C@H](CCCC1)NC(C1=CN=C(C=C1)N1C=NC=C1)=O | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9]([CH:11]1[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1)=[O:10].[O:17](S(C(F)(F)F)(=O)=O)[S:18]([C:21]([F:24])([F:23])[F:22])(=O)=[O:19]>ClCCl>[Cl:8][C:5]1[CH:6]=[CH:7][C:2]([NH:1][S:18]([C:21]([F:24])([F:23])[F:22])(=[O:19])=[O:17])=[C:3]([C:9]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)=[O:10])[CH:4]=1 | 2 |
C1(=CC=CC=C1)NC(=O)N1C=CC2=CC(=CC=C12)N.NC1=NC=C(C(=C1)Cl)C#N>>C1(=CC=CC=C1)NC(=O)N1C=CC2=CC(=CC=C12)NC1=CC(=NC=C1C#N)N | 5 |
O1[C@H](CCC1)C(=O)O.C(C)OC=1N=CC2=CC=C(C=C2C1)C1=CC=C(C=C1)OC1CCNCC1>N(C)(C)C=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>COC=1N=CC2=CC=C(C=C2C1)C1=CC=C(OC2CCN(CC2)C(=O)[C@@H]2OCCC2)C=C1 | 3 |
[H-].[Na+].[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5](=[O:12])[C:4]1=[O:13].[CH3:14][O:15][C:16](=[O:25])[CH:17](Br)[CH2:18][CH:19]1[CH2:23][CH2:22][CH2:21][CH2:20]1>CN(C)C=O.O>[CH3:14][O:15][C:16](=[O:25])[CH:17]([N:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5](=[O:12])[C:4]1=[O:13])[CH2:18][CH:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1 | 2 |
O1CCC(=CC1)C1=NN2C(N(C(=C(C2=O)N2CCN(CC2)C(=O)OC(C)(C)C)CC)CC(NC2=CC=C(C=C2)C(F)(F)F)=O)=N1>O.ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>O1CCC(=CC1)C1=NN2C(N(C(=C(C2=O)N2CCNCC2)CC)CC(=O)NC2=CC=C(C=C2)C(F)(F)F)=N1 | 3 |
ClCC(C)=O.BrC1=CC=C(C(C=O)=C1)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(=O)C1=CC2=C(O1)C=CC(=C2)Br | 3 |
[Br-].[CH2:2]([N+:5]1[CH:10]=[CH:9][CH:8]=[C:7]([C:11](=[O:15])[CH2:12][CH2:13][CH3:14])[CH:6]=1)[CH:3]=[CH2:4].C1(CCN2CCCC(C(C)=O)=C2)C=CC=CC=1>>[CH2:2]([N:5]1[CH2:10][CH2:9][CH2:8][C:7]([C:11]([CH2:12][CH2:13][CH3:14])=[O:15])=[CH:6]1)[CH2:3][CH3:4] | 1 |
NC1=CC=C(OC2=CC(=NC=C2)NC(=O)N2CCC(CC2)CN(C)C)C=C1.C1(=CC=CC=C1)CC(=O)N=C=O>C1CCCO1.CCCCCC>CN(C)CC1CCN(CC1)C(=O)NC1=NC=CC(=C1)OC1=CC=C(C=C1)NC(=O)NC(CC1=CC=CC=C1)=O | 3 |
[CH2:1]([C:3]1[S:4][C:5](B(O)O)=[CH:6][CH:7]=1)[CH3:2].Br[C:12]1[S:16][C:15]([S:17]([N:20]2[CH:24]=[CH:23][CH:22]=[CH:21]2)(=[O:19])=[O:18])=[CH:14][CH:13]=1>>[CH2:1]([C:3]1[S:4][C:5]([C:12]2[S:16][C:15]([S:17]([N:20]3[CH:24]=[CH:23][CH:22]=[CH:21]3)(=[O:18])=[O:19])=[CH:14][CH:13]=2)=[CH:6][CH:7]=1)[CH3:2] | 1 |
C(C=C)C1=C(C(=CC=C1)C1=C(C=CC=C1Cl)Cl)O>ClCCl.[Pd](Cl)Cl.C(C)#N.C(C)#N>ClC1=C(C(=CC=C1)Cl)C=1C(=C(C=CC1)\C=C\C)O | 3 |
C(C)(C)(C)OC(=O)N[C@H]1COCC[C@H]1NC1=C(C2=C(C(=N1)Cl)C(N(C2)C(=O)OC(C)(C)C)=O)F.ClC1=CC=C(CCB2OC(C(O2)(C)C)(C)C)C=C1>>C(C)(C)(C)OC(=O)N[C@H]1COCC[C@H]1NC1=C(C2=C(C(=N1)CCC1=CC=C(C=C1)Cl)C(N(C2)C(=O)OC(C)(C)C)=O)F | 5 |
[Cl:1][C:2]1[CH:22]=[C:21]([S:23]([CH3:26])(=[O:25])=[O:24])[CH:20]=[CH:19][C:3]=1[O:4][C:5]1[CH:6]=[C:7]([CH2:15][C:16](O)=[O:17])[CH:8]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:10]=1.[CH2:27]([S:30]([NH2:33])(=[O:32])=[O:31])[CH2:28][CH3:29]>>[Cl:1][C:2]1[CH:22]=[C:21]([S:23]([CH3:26])(=[O:25])=[O:24])[CH:20]=[CH:19][C:3]=1[O:4][C:5]1[CH:6]=[C:7]([CH2:15][C:16]([NH:33][S:30]([CH2:27][CH2:28][CH3:29])(=[O:32])=[O:31])=[O:17])[CH:8]=[C:9]([C:11]([F:14])([F:12])[F:13])[CH:10]=1 | 2 |
C(C1=CC=CC=C1)(=O)Cl.C(C)NCC>ClCCl.CCN(CC)CC>C(C)N(C(C1=CC=CC=C1)=O)CC | 3 |
ClC=1C=NC=2C(=C(C(=C(C2C1)C#N)C=1N(N=CC1)C)F)C>C(C)(=O)O.C(O)([O-])=O.[Na+].IN1C(CCC1=O)=O>ClC=1C=NC=2C(=C(C(=C(C2C1)C#N)C=1N(N=CC1I)C)F)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12]=1[N:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1)[C:5]([O:7]CC)=[O:6].[OH-].[Na+]>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12]=1[N:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1)[C:5]([OH:7])=[O:6] | 1 |
C(O)(C(F)(F)F)=O.C([SiH](CC)CC)C.[CH3:15][N:16]1[C@H:30]2[C:20]([C:21]3[CH:22]=[CH:23][CH:24]=[C:25]4[C:31]=3[C:28]([CH2:29]2)=[CH:27][NH:26]4)=[CH:19][C@@H:18]([CH2:32][S:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH2:17]1>>[CH3:15][N:16]1[C@H:30]2[C:20]([C:21]3[CH:22]=[CH:23][CH:24]=[C:25]4[C:31]=3[C:28]([CH2:29]2)=[CH:27][NH:26]4)=[CH:19][C@@H:18]([CH2:32][S:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH2:17]1.[CH3:15][N:16]1[C@H:30]2[C:20]([C:21]3[CH:22]=[CH:23][CH:24]=[C:25]4[C:31]=3[C@H:28]([CH2:29]2)[CH2:27][NH:26]4)=[CH:19][C@@H:18]([CH2:32][S:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH2:17]1 | 1 |
[Cl:1]N1C(=O)CCC1=O.[CH3:9][O:10][C:11]1[CH:12]=[C:13]([CH:17]=[CH:18][CH:19]=1)[CH:14]=[N:15][OH:16].O>CN(C=O)C>[Cl:1][C:13]1([CH:14]=[N:15][OH:16])[CH:17]=[CH:18][CH:19]=[C:11]([O:10][CH3:9])[CH2:12]1 | 1 |
[Br:1][C:2]1[CH:14]=[CH:13][C:12]2[C:11]3[C:6](=[CH:7][C:8]([Br:15])=[CH:9][CH:10]=3)[C:5]([CH2:19][CH:20]=[O:21])([CH2:16][CH:17]=[O:18])[C:4]=2[CH:3]=1.[BH4-].[Na+]>CO.C1COCC1>[Br:1][C:2]1[CH:14]=[CH:13][C:12]2[C:11]3[C:6](=[CH:7][C:8]([Br:15])=[CH:9][CH:10]=3)[C:5]([CH2:16][CH2:17][OH:18])([CH2:19][CH2:20][OH:21])[C:4]=2[CH:3]=1 | 2 |
[CH3:1][N:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[N:4]=[CH:3]1.[C:11](=O)([O-])[OH:12].[Na+]>C=O>[CH3:1][N:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[N:4]=[C:3]1[CH2:11][OH:12] | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:17]=[CH:16][C:13]([CH2:14][NH2:15])=[CH:12][CH:11]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[F:18][C:19]([F:45])([F:44])[C:20]1[CH:25]=[CH:24][C:23]([C:26]2[C:27]([C:32]([NH:34][C:35]3[CH:36]=[C:37]([C:41](O)=[O:42])[N:38]([CH3:40])[CH:39]=3)=[O:33])=[CH:28][CH:29]=[CH:30][CH:31]=2)=[CH:22][CH:21]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(CC)CC)C>CN(C)C=O.ClCCl.C(O)C>[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[CH:12][C:13]([CH2:14][NH:15][C:41]([C:37]2[N:38]([CH3:40])[CH:39]=[C:35]([NH:34][C:32]([C:27]3[C:26]([C:23]4[CH:22]=[CH:21][C:20]([C:19]([F:45])([F:18])[F:44])=[CH:25][CH:24]=4)=[CH:31][CH:30]=[CH:29][CH:28]=3)=[O:33])[CH:36]=2)=[O:42])=[CH:16][CH:17]=1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
C1(=CC=CC=C1)C=O>O.CCO[H].[OH-].[Na+].Cl.NO>C(/C1=CC=CC=C1)=N/O | 3 |
OC=1C(=C2N(C(C1)=O)CCS2)[N+](=O)[O-]>>[N+](=O)([O-])C1=C2N(C(C=C1OS(=O)(=O)C(F)(F)F)=O)CCS2 | 5 |
NC1=C(C=C(C(=O)OC)C=C1C(F)(F)F)Cl>>ClC=1C=C(C(=O)OC)C=C(C1I)C(F)(F)F | 5 |
BrC=1N=C2N(N=CC=C2O)C1>O.C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>BrC=1N=C2N(N=CC=C2Cl)C1 | 3 |
C(C=C)Br.N1(CCNCC1)C=1C=C2CCC(NC2=CC1)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C(C=C)N1CCN(CC1)C=1C=C2CCC(NC2=CC1)=O | 3 |
BrC1=C(C=C(C=C1)C(F)(F)F)OC.[Si](C)(C)(C(C)(C)C)OCC=1N(C=CC1)C1=C(N(C=C1)S(=O)(=O)C1=CC=C(C)C=C1)C=O>C1CCCO1.C(CCC)[Li]>[Si](C)(C)(C(C)(C)C)OCC=1N(C=CC1)C1=C(N(C=C1)S(=O)(=O)C1=CC=C(C)C=C1)C(O)C1=C(C=C(C=C1)C(F)(F)F)OC | 3 |
C(OC([N:8]1[CH2:12][C@@H:11]([O:13][C:14]2[CH:19]=[CH:18][C:17]([C:20]([F:23])([F:22])[F:21])=[CH:16][CH:15]=2)[C@H:10]([CH2:24][N:25]([CH:42]([CH3:44])[CH3:43])[C:26](=[O:41])[C:27]2[CH:32]=[CH:31][C:30]([O:33][CH3:34])=[C:29]([O:35][CH2:36][CH2:37][CH2:38][O:39][CH3:40])[CH:28]=2)[CH2:9]1)=O)(C)(C)C.Cl.O1CCOCC1>>[CH:42]([N:25]([CH2:24][C@H:10]1[C@H:11]([O:13][C:14]2[CH:19]=[CH:18][C:17]([C:20]([F:23])([F:21])[F:22])=[CH:16][CH:15]=2)[CH2:12][NH:8][CH2:9]1)[C:26](=[O:41])[C:27]1[CH:32]=[CH:31][C:30]([O:33][CH3:34])=[C:29]([O:35][CH2:36][CH2:37][CH2:38][O:39][CH3:40])[CH:28]=1)([CH3:44])[CH3:43] | 2 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].C([O:9][C:10](=O)[CH2:11][CH:12]1[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]1)C.S([O-])([O-])(=O)=O.[Na+].[Na+]>C1COCC1>[OH:9][CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:16][CH2:17]1 | 1 |
[CH3:1][N:2]1[C@@H:19]2[CH2:20][C:7]3[CH:8]=[CH:9][C:10]([O:22][CH3:23])=[C:11]4[O:12][C@H:13]5[C:14]([CH2:16][CH2:17][C@:18]2([OH:21])[C@:5]5([C:6]=34)[CH2:4][CH2:3]1)=[O:15].Cl>O>[CH3:1][N:2]1[C@@H:19]2[CH2:20][C:7]3[CH:8]=[CH:9][C:10]([O:22][CH3:23])=[C:11]4[O:12][C@H:13]5[C:14]([CH2:16][CH2:17][C@:18]2([OH:21])[C@:5]5([C:6]=34)[CH2:4][CH2:3]1)=[O:15] | 1 |
C1(CC1)C=O.ClC1=CC=C(C=C1)C(C1=CC=C(C(=C1)NC(C)C1=CC=C(C=C1)Cl)N)C=1SC=CN1>C(=O)(C(F)(F)F)O.CS(=O)C>FC(C(=O)O)(F)F.ClC1=CC=C(C=C1)C(C=1SC=CN1)C=1C=CC2=C(N(C(=N2)C2CC2)C(C)C2=CC=C(C=C2)Cl)C1 | 3 |
C(=O)=O.ClC1=C(C=O)C=C(C=C1)[N+](=O)[O-].C(CC(=O)O)(=O)O>c1ccncc1.Cl.N1CCCCC1>ClC1=C(C=CC(=O)O)C=C(C=C1)[N+](=O)[O-] | 3 |
[OH:1][CH:2]1[CH:7]2[CH2:8][CH2:9][N:4]([CH2:5][CH2:6]2)[CH2:3]1.[Br:10][C:11]1[CH:16]=[CH:15][C:14](I)=[CH:13][CH:12]=1>>[Br:10][C:11]1[CH:16]=[CH:15][C:14]([O:1][CH:2]2[CH:7]3[CH2:8][CH2:9][N:4]([CH2:5][CH2:6]3)[CH2:3]2)=[CH:13][CH:12]=1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([C:15]2[CH:20]=[CH:19][C:18]([N+:21]([O-])=O)=[CH:17][CH:16]=2)[C:10]=1[C:11]([F:14])([F:13])[F:12])=[O:5])[CH3:2].C([O-])=O.[NH4+]>CO.[Pd]>[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([C:15]2[CH:16]=[CH:17][C:18]([NH2:21])=[CH:19][CH:20]=2)[C:10]=1[C:11]([F:14])([F:13])[F:12])=[O:5])[CH3:2] | 1 |
N1C=CC2=CC=CC=C12.CC1=CC=C(C=O)C=C1>[Fe](Cl)(Cl)Cl>N1C=C(C2=CC=CC=C12)C(C1=CNC2=CC=CC=C12)C1=CC=C(C=C1)C | 3 |
CN1CCNCC1.BrC1=C2C=3C=CC(=CC3NC2=C(C=C1)C(N)=O)C(=O)O>>BrC1=CC=C(C=2NC3=CC(=CC=C3C12)C(=O)N1CCN(CC1)C)C(=O)N | 5 |
[N+:1]([C:4]1[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=1[NH2:6])([O-:3])=[O:2].[CH2:11]([O:13][C:14](Cl)=[O:15])[CH3:12]>N1C=CC=CC=1.ClCCl>[CH2:11]([O:13][C:14]([NH:6][C:5]1[CH:7]=[CH:8][CH:9]=[CH:10][C:4]=1[N+:1]([O-:3])=[O:2])=[O:15])[CH3:12] | 1 |
C[Si](C)(C)C#C.FC(S(=O)(=O)OC=1C(=C2C=NC(=NC2=CC1)SC)Cl)(F)F>[Cu]I.N(C)(C)C=O.C(C)(C)N(C(C)C)CC.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]>ClC1=C2C=NC(=NC2=CC=C1C#C[Si](C)(C)C)SC | 3 |
FC(C1=C(C=C(C=N1)NC(C(=O)O)=O)C)F.C[C@H]1CC[C@@H](NC1)C=1C=C2CCC(NC2=CC1)=O>CS(=O)C.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>FC(C1=C(C=C(C=N1)NC(C(=O)N1[C@@H](CC[C@H](C1)C)C=1C=C2CCC(NC2=CC1)=O)=O)C)F.FC(C1=C(C=C(C=N1)NC(=O)C(=O)N(C)C)C)F | 3 |
C(C)(C)N(P(OCCC#N)Cl)C(C)C.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)OCCOCCOCC(COCCOCCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)O>>C(C)(C)N(P(OOC(COCCOCCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)COCCOCCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)OCCC#N)C(C)C | 5 |
COC(=O)C=1N=CN(C1C(=O)OC)CC1=CC=CC=C1.O1OCC2=C1C=CC(=C2)CN2C(CCC2=O)=O>C1CCCO1.CO[H].[H-].[Na+]>O1COC2=C1C=CC(=C2)CN2C(C=1C(=C3N=CN(C3=C(C1C2=O)O)CC2=CC=CC=C2)O)=O | 3 |
COC(C(=O)OC)=O.BrC1=C(C=CC=C1)C(C)=O>C(C)OCC.CO[H].[Na]>BrC1=C(C=CC=C1)C(CC(C(=O)OC)=O)=O | 3 |
C([O:5][C:6](=[O:32])[CH2:7][N:8]([S:17]([C:20]1[CH:29]=[C:28]2[C:23]([C:24]([Cl:31])=[CH:25][N:26]=[C:27]2[Cl:30])=[CH:22][CH:21]=1)(=[O:19])=[O:18])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH3:16])CCC.[C:33](OC(=O)CNCC1C=CC=CC=1C)([CH3:36])([CH3:35])[CH3:34].CCN(CC)CC>C(Cl)Cl>[C:33]([O:5][C:6](=[O:32])[CH2:7][N:8]([S:17]([C:20]1[CH:29]=[C:28]2[C:23]([C:24]([Cl:31])=[CH:25][N:26]=[C:27]2[Cl:30])=[CH:22][CH:21]=1)(=[O:18])=[O:19])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH3:16])([CH3:36])([CH3:35])[CH3:34] | 1 |
[F:1][C:2](=[C:11]([C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][C:22]=1[O:23][CH3:24])[O:19][C:18]([CH3:26])([CH3:25])[CH:17]=[C:16]2[CH:27]([CH3:29])[CH3:28])[CH3:12])[CH:3]=[CH:4][C:5]([CH3:10])=[CH:6][C:7]([O-:9])=[O:8].C1COCC1.[OH-].[Na+]>C(O)C>[F:1][C:2](=[C:11]([C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][C:22]=1[O:23][CH3:24])[O:19][C:18]([CH3:26])([CH3:25])[CH:17]=[C:16]2[CH:27]([CH3:29])[CH3:28])[CH3:12])[CH:3]=[CH:4][C:5]([CH3:10])=[CH:6][C:7]([OH:9])=[O:8] | 2 |
C1COCCN1.ClC=1C=C(C=CC1)[C@H]1C[C@@H](C(N([C@@H]1C1=CC=C(C=C1)Cl)[C@H](C=O)CC)=O)CC(=O)OC(C)(C)C>>ClC=1C=C(C=CC1)[C@H]1C[C@@H](C(N([C@@H]1C1=CC=C(C=C1)Cl)[C@H](CN1CCOCC1)CC)=O)CC(=O)OC(C)(C)C | 5 |
Cl[CH2:2][C:3](=[N:22][O:23][CH3:24])[CH2:4][N:5]1[C:13]2[C:8](=[CH:9][C:10]([N:14]=[CH:15][N:16]([CH3:18])[CH3:17])=[CH:11][CH:12]=2)[C:7]([C:19]([NH2:21])=[O:20])=[CH:6]1.[CH3:25][O:26][C:27]1[CH:33]=[CH:32][C:30](N)=[CH:29][CH:28]=1.C(=O)([O-])[O-:35].[Na+].[Na+]>C(OCC)(=O)C>[CH3:17][N:16]([CH:15]=[N:14][C:10]1[CH:9]=[C:8]2[C:13](=[CH:12][CH:11]=1)[N:5]([CH2:4][C:3](=[N:22][O:23][CH3:24])[CH2:2][O:35][C:30]1[CH:32]=[CH:33][C:27]([O:26][CH3:25])=[CH:28][CH:29]=1)[CH:6]=[C:7]2[C:19]([NH2:21])=[O:20])[CH3:18] | 2 |
FC(F)(F)S(O[CH2:7][C:8]([F:11])([CH3:10])[CH3:9])(=O)=O.[CH3:14][C:15]1([CH3:40])[NH:27][CH:26]([C:28]2[CH:33]=[CH:32][C:31](/[CH:34]=[CH:35]/[C:36]([O:38][CH3:39])=[O:37])=[CH:30][CH:29]=2)[C:18]2[NH:19][C:20]3[C:25]([C:17]=2[CH2:16]1)=[CH:24][CH:23]=[CH:22][CH:21]=3.C(N(CC)C(C)C)(C)C>O1CCOCC1>[F:11][C:8]([CH3:10])([CH3:9])[CH2:7][N:27]1[C:15]([CH3:40])([CH3:14])[CH2:16][C:17]2[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[NH:19][C:18]=2[CH:26]1[C:28]1[CH:29]=[CH:30][C:31](/[CH:34]=[CH:35]/[C:36]([O:38][CH3:39])=[O:37])=[CH:32][CH:33]=1 | 2 |
[CH3:1][O:2][C:3]([C:5]1[CH:39]=[CH:38][C:8]([CH2:9][N:10]([CH2:30][CH2:31][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[C:11]([C@@H:13]2[CH2:22][C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[CH2:15][N:14]2C(OC(C)(C)C)=O)=[O:12])=[CH:7][CH:6]=1)=[O:4].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH2:30]([N:10]([CH2:9][C:8]1[CH:7]=[CH:6][C:5]([C:3]([O:2][CH3:1])=[O:4])=[CH:39][CH:38]=1)[C:11]([C@@H:13]1[CH2:22][C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH2:15][NH:14]1)=[O:12])[CH2:31][C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=1 | 2 |
[CH3:1][C:2]1([CH3:47])[O:7][C:6]2[CH:8]=[CH:9][C:10]([C@H:12]3[O:16][C:15](=[O:17])[N:14]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][C:29]4[CH:30]=[C:31]([NH:35][C:36](=[O:46])[C:37]5[CH:42]=[CH:41][CH:40]=[C:39]([N+:43]([O-])=O)[CH:38]=5)[CH:32]=[CH:33][CH:34]=4)[CH2:13]3)=[CH:11][C:5]=2[CH2:4][O:3]1>CCOC(C)=O.CCO.[Pt]=O>[NH2:43][C:39]1[CH:38]=[C:37]([CH:42]=[CH:41][CH:40]=1)[C:36]([NH:35][C:31]1[CH:32]=[CH:33][CH:34]=[C:29]([CH2:28][O:27][CH2:26][CH2:25][O:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][N:14]2[CH2:13][C@@H:12]([C:10]3[CH:9]=[CH:8][C:6]4[O:7][C:2]([CH3:47])([CH3:1])[O:3][CH2:4][C:5]=4[CH:11]=3)[O:16][C:15]2=[O:17])[CH:30]=1)=[O:46] | 1 |
FC1=C(C=CC=C1F)N1C=C(C=CC1=O)C(=O)OC>O.C1CCCO1.Cl.O[Li].O>FC1=C(C=CC=C1F)N1C=C(C=CC1=O)C(=O)O | 3 |
[F:1][C:2]([F:16])([C:12]([F:15])([F:14])[F:13])[CH2:3][CH2:4][CH2:5][S:6]([CH2:8][CH2:9][CH2:10]Cl)=[O:7].[NH2:17][CH2:18][C:19]([CH3:22])([OH:21])[CH3:20]>>[CH3:20][C:19]([OH:21])([CH3:22])[CH2:18][NH:17][CH2:10][CH2:9][CH2:8][S:6]([CH2:5][CH2:4][CH2:3][C:2]([F:16])([F:1])[C:12]([F:15])([F:14])[F:13])=[O:7] | 2 |
CS(O[CH2:6][C:7]1[C:8]2[CH:16]=[C:15]([CH:17]3[CH2:22][CH2:21][C:20]([CH3:24])([CH3:23])[CH2:19][CH2:18]3)[S:14][C:9]=2[N:10]=[C:11]([CH3:13])[N:12]=1)(=O)=O.CCN(C(C)C)C(C)C.[S:34]1(=[O:42])(=[O:41])[CH2:39][CH2:38][CH:37]([NH2:40])[CH2:36][CH2:35]1.[NH4+].[Cl-:44]>CN(C=O)C>[ClH:44].[CH3:23][C:20]1([CH3:24])[CH2:21][CH2:22][CH:17]([C:15]2[S:14][C:9]3[N:10]=[C:11]([CH3:13])[N:12]=[C:7]([CH2:6][NH:40][CH:37]4[CH2:38][CH2:39][S:34](=[O:42])(=[O:41])[CH2:35][CH2:36]4)[C:8]=3[CH:16]=2)[CH2:18][CH2:19]1 | 1 |
C(C)(C)(C)OC(=O)N([C@@H](C)C(=O)O)C.N[C@H](C(=O)N1[C@@H](CCC1)C=1SC=C(N1)C(C1=CC(=CC=C1)O)=O)C1CCCCC1>N(C)(C)C=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>C1(CCCCC1)[C@@H](C(=O)N1[C@@H](CCC1)C=1SC=C(N1)C(C1=CC(=CC=C1)O)=O)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O.C(C)(C)(C)OC(N(C)[C@H](C(=O)N[C@H](C(=O)N1[C@H](CCC1)C=1SC=C(N1)C(C1=CC(=CC=C1)O)=O)C1CCCCC1)C)=O | 3 |
C(C1=CC=CC=C1)[C@H]1N(C(OC1)=O)C(=O)[C@H]1CN(C[C@@H]1C1=CC=C(C=C1)F)C(=O)OC(C)(C)C>O(O[H])[H].O.C1CCCO1.[OH-].[Li+]>C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C1=CC=C(C=C1)F)C(=O)O | 3 |
[F:1][C:2]([F:31])([F:30])[C:3]1[CH:4]=[C:5]([CH2:13][O:14][C@@H:15]2[CH2:21][CH2:20][C@@H:19]3[NH:22][C@@:16]2([C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)[CH2:17][CH2:18]3)[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.C(=O)([O-])[O-].[K+].[K+].[CH3:38][N:39]1[CH:43]=[N:42][C:41]([CH2:44][Cl:45])=[N:40]1.O>CN(C)C=O>[ClH:45].[F:31][C:2]([F:1])([F:30])[C:3]1[CH:4]=[C:5]([CH2:13][O:14][C@@H:15]2[CH2:21][CH2:20][C@@H:19]3[N:22]([CH2:44][C:41]4[N:42]=[CH:43][N:39]([CH3:38])[N:40]=4)[C@@:16]2([C:23]2[CH:24]=[CH:25][C:26]([F:29])=[CH:27][CH:28]=2)[CH2:17][CH2:18]3)[CH:6]=[C:7]([C:9]([F:12])([F:10])[F:11])[CH:8]=1 | 1 |
NC(C(=O)O)CCCC(=O)O>C1(=CC=CC=C1)C.C(C)OCC.C(C)(=O)O>O=C1CCCC(N1)C(=O)O | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([S:9](Cl)(=[O:11])=[O:10])=[CH:5][CH:4]=1)#[N:2].[CH2:13]([O:16][C:17]1[CH:30]=[CH:29][C:20]([CH2:21][NH:22][CH2:23][C:24]2[O:25][CH:26]=[CH:27][CH:28]=2)=[CH:19][CH:18]=1)[CH2:14][CH3:15].C(N(CC)CC)C>C(Cl)Cl.O>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([S:9]([N:22]([CH2:21][C:20]2[CH:19]=[CH:18][C:17]([O:16][CH2:13][CH2:14][CH3:15])=[CH:30][CH:29]=2)[CH2:23][C:24]2[O:25][CH:26]=[CH:27][CH:28]=2)(=[O:11])=[O:10])=[CH:5][CH:4]=1)#[N:2] | 1 |
CN1N=C(C=2C1=NC=C(C2)C(=O)NC(=O)NC2=CC(=C(OCC(=O)OCC)C=C2)C(F)(F)F)C>>CN1N=C(C=2C1=NC=C(C2)C(=O)NC(=O)NC2=CC(=C(OCC(=O)[O-])C=C2)C(F)(F)F)C.[Na+] | 5 |
[NH2:1][C:2]1[C:7]([Br:8])=[CH:6][CH:5]=[CH:4][N:3]=1.[C:9](OC(=O)C)(=[O:11])[CH3:10]>>[Br:8][C:7]1[C:2]([NH:1][C:9](=[O:11])[CH3:10])=[N:3][CH:4]=[CH:5][CH:6]=1 | 2 |
COC1=CC=C(CN)C=C1.COC(=O)C1=C(OC(=C1)Br)CBr>>COC(=O)C1=C(OC(=C1)Br)CNCC1=CC=C(C=C1)OC | 5 |
C(CC)=O.CCC(CC)NC(=O)C1CN[C@@H]2CC=3C4=C(C2=C1)C=CC=C4NC3>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>C(CC)N1C[C@@H](C=C2C3=C4C(C[C@@H]12)=CNC4=CC=C3)C(=O)N[C@H](C)CCC | 3 |
C(C)(C)(C)OC(=O)N1CCN(C2=CC=CC=C12)C1=CC=C(C=C1)N1CCN(CC1)S(=O)(=O)CCOC>>COCCS(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1)N1CCNC2=CC=CC=C12 | 5 |
O[C@@H]1C[C@H](N(C1)C([C@@H](C(C)C)C1=CC(=NO1)C)=O)C(=O)NCC1=C(OCCOCCN(C(OC(C)(C)C)=O)C)C=C(C=C1)C1=C(N=CS1)C>Cl.O1CCOCC1>O[C@@H]1C[C@H](N(C1)C([C@@H](C(C)C)C1=CC(=NO1)C)=O)C(=O)NCC1=C(C=C(C=C1)C1=C(N=CS1)C)OCCOCCNC | 3 |
Cl.CNC.COC=1C=C(C=CC1)[C@H]1[C@@H](COCC1)CS(=O)(=O)OC>N(C)(C)C=O.CCN(CC)CC>COC=1C=C(C=CC1)[C@H]1[C@@H](COCC1)CN(C)C | 3 |
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