smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C1=CC=CC=C1)OC(=O)N1[C@@H](C(C(C1)F)C)C(=O)O>>FC1C([C@H](NC1)C(=O)O)C | 5 |
C(C)(SCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O>>C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)S | 5 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.BrC=1C=CC=2N(C1)C(=CN2)I>>BrC=1C=CC=2N(C1)C(=CN2)C(C)=O | 5 |
FC1=CC(=C(OCC(=O)OC)C(=C1)C1COCC1)C>CCO[H].O.NN>FC1=CC(=C(OCC(=O)NN)C(=C1)C1COCC1)C | 3 |
C(C)OC(OCC)OCC.O=C1C=C(NC=2N1N=CC2C2=NC=CC=C2)C2=CC=C(C(=O)NN)C=C2>>O1C(=NN=C1)C1=CC=C(C=C1)C=1NC=2N(C(C1)=O)N=CC2C2=NC=CC=C2 | 5 |
BrCC1=CSC2=C1C=C(C=C2)Cl.C1(=CC=CC=C1)C=1NC2=CC=CC=C2C1CC#N>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>ClC1=CC2=C(SC=C2CN2C(=C(C3=CC=CC=C23)CC#N)C2=CC=CC=C2)C=C1 | 3 |
[CH2:1]([N:3]([CH2:20][CH3:21])[CH2:4][CH2:5][N:6]([CH2:8][C:9]1[CH:10]=[C:11]([CH:16]=[C:17]([CH3:19])[CH:18]=1)[C:12]([O:14]C)=[O:13])[CH3:7])[CH3:2]>CO.O1CCCC1>[CH2:20]([N:3]([CH2:1][CH3:2])[CH2:4][CH2:5][N:6]([CH2:8][C:9]1[CH:10]=[C:11]([CH:16]=[C:17]([CH3:19])[CH:18]=1)[C:12]([OH:14])=[O:13])[CH3:7])[CH3:21] | 1 |
CN1C(=CC=C1)C(=O)O.CC1=C(SC2=C1CNCC2)C(=O)OCC>>CC1=C(SC2=C1CN(CC2)C(=O)C=2N(C=CC2)C)C(=O)OCC | 5 |
C(C1=CC=CC=C1)O.BrC1=C(C=CC(=C1)F)C(F)(F)F>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC1=CC(=C(C=C1)C(F)(F)F)Br | 3 |
[Cl:1][C:2]1[C:3]([CH3:28])=[C:4]([NH:10][C@H:11]([C@@H:25]([OH:27])[CH3:26])[C:12]([NH:14][NH:15][C:16](=[O:24])[C:17]2[CH:22]=[CH:21][C:20]([I:23])=[CH:19][CH:18]=2)=[O:13])[CH:5]=[CH:6][C:7]=1[C:8]#[N:9].N1C=CN=C1.[CH3:34][C:35]([Si:38](Cl)([CH3:40])[CH3:39])([CH3:37])[CH3:36]>CN(C=O)C>[Si:38]([O:27][C@@H:25]([CH3:2... | 1 |
[CH3:1][N:2]([CH3:19])[C@@H:3]1[CH2:7][CH2:6][N:5]([CH2:8][C:9]2[CH:18]=[CH:17][C:12]([C:13]([O:15]C)=[O:14])=[CH:11][CH:10]=2)[CH2:4]1>Cl>[CH3:1][N:2]([CH3:19])[C@@H:3]1[CH2:7][CH2:6][N:5]([CH2:8][C:9]2[CH:18]=[CH:17][C:12]([C:13]([OH:15])=[O:14])=[CH:11][CH:10]=2)[CH2:4]1 | 1 |
ClC1=CC=NC2=CC(=C(C=C12)OC)OC.NC1=CC(=C(C=C1)O)F>N(C)(C)C=O.C(C)(=O)OCC.[H-].[Na+]>COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C=C(N)C=C1)F | 3 |
C(NC(C)C)(C)C.C([Li])CCC.[C:13]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])(=[O:15])[CH3:14].[C:21]1([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][C:35]2[CH:42]=[CH:41][CH:40]=[CH:39][C:36]=2[CH:37]=[O:38])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>O1CCCC1.CCCCCC.O1CCCC1>[OH:38][CH:37]([C:36]1[CH:39]=[CH:... | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH:13]2[CH2:17][C:16]3[C:18]([F:23])=[CH:19][CH:20]=[C:21](Br)[C:15]=3[O:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[CH3:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].CC1C=CC(S(OCC2CC3C(C4C=CC=CC=4)=CC=CC=3O2)(=O)=O)=CC=1>CC1C=CC=CC=1[P](C... | 2 |
C1(=CC=CC=C1)COC1=CC=C(C=O)C=C1.N[C@H]1CN(CC[C@H]1N)C(=O)OC(C)(C)C>C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.II.CC(C)(C)O>C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=N[C@H]2[C@H](CN(CC2)C(=O)OC(C)(C)C)N1 | 3 |
C([O:5]C([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1[CH2:14][CH2:15][O:16][C:17]1[C:26]2[C:21](=[CH:22][C:23]([Cl:36])=[C:24]([C:27](=[O:35])[NH:28][C:29]3[CH:34]=[CH:33][N:32]=[CH:31][N:30]=3)[CH:25]=2)[NH:20][C:19](=[O:37])[C:18]=1[C:38]1[S:39][C:40]([Cl:43])=[CH:41][CH:42]=1)=O)(C)(C)C.FC(F)(F)C(O)=O>C1(OC)C=CC=CC... | 1 |
[NH2:1][C:2]1[N:7]=[CH:6][C:5]([C:8]#[C:9][C:10]2[C:11]([CH2:27][CH3:28])=[N:12][CH:13]=[CH:14][C:15]=2[C:16]2[CH:24]=[CH:23][C:19]([C:20]([OH:22])=O)=[C:18]([O:25][CH3:26])[CH:17]=2)=[CH:4][CH:3]=1.[CH2:29]([N:31]1[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]1)[CH3:30].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.... | 1 |
[CH3:1][C@H:2]1[CH2:30][O:29][C@@:5]2([O:9][C@H:8]3[CH2:10][C@H:11]4[C@@H:16]5[CH2:17][CH:18]=[C:19]6[CH2:24][C@@H:23]([OH:25])[CH2:22][CH2:21][C@:20]6([CH3:26])[C@H:15]5[CH2:14][CH2:13][C@:12]4([CH3:27])[C@H:7]3[C@@H:6]2[CH3:28])[CH2:4][CH2:3]1>[Pd]>[CH3:1][C@H:2]1[CH2:30][O:29][C@@:5]2([O:9][C@H:8]3[CH2:10][C@H:11]4[... | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11](O)=[O:12])[CH2:10][CH2:9]2)=[C:4]([F:14])[CH:3]=1.S(Cl)([Cl:17])=O>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]([Cl:17])=[O:12])[CH2:10][CH2:9]2)=[C:4]([F:14])[CH:3]=1 | 2 |
FC1=C(C(=C(C(=C1O)F)F)F)F.C1(CCCCC1)OC([C@@H](N)C)=O>ClCCl.CCN(CC)CC.P(=O)(OC1=CC=CC=C1)(Cl)Cl>FC1=C(OP(=O)(OC2=CC=CC=C2)N[C@H](C(=O)OC2CCCCC2)C)C(=C(C(=C1F)F)F)F | 3 |
CN1CCN(CC1)C1=CC=C(N)C=C1.OC=C1C(NC2=CC(=CC=C12)C(=O)C=1C=C(C=CC1)NC(=O)C=1N(N=CC1)C)=O>>CN1CCN(CC1)C1=CC=C(C=C1)NC=C1C(NC2=CC(=CC=C12)C(=O)C=1C=C(C=CC1)NC(=O)C=1N(N=CC1)C)=O | 5 |
[C:1]1([CH3:11])[CH:6]=CC(S(O)(=O)=O)=CC=1.[Cl:12][CH2:13][CH:14]([OH:17])[CH2:15][OH:16]>CC(C)=O>[Cl:12][CH2:13][CH:14]1[CH2:15][O:16][C:1]([CH3:6])([CH3:11])[O:17]1 | 1 |
[Cl:1][C:2]1[C:3]([C:13]#[C:14][Si:15]([CH3:18])([CH3:17])[CH3:16])=[CH:4][C:5]([OH:12])=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8].[N+:19]([O-])([OH:21])=[O:20].O>C(O)(=O)C>[Cl:1][C:2]1[C:3]([C:13]#[C:14][Si:15]([CH3:16])([CH3:18])[CH3:17])=[C:4]([N+:19]([O-:21])=[O:20])[C:5]([OH:12])=[C:6]([CH:11]=1)[C:7]([O:9][CH3:1... | 1 |
[Cl-].C1(=CC=CC=C1)[P+](CC=1N=CSC1)(C1=CC=CC=C1)C1=CC=CC=C1.O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(COC2=NN(C=C2C=O)C)C=C1)OC)C>>O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(C=C1)COC1=NN(C=C1\C=C/C=1N=CSC1)C)OC)C | 5 |
C([O:8][C:9](=[O:31])[C@@H:10]1[CH2:14][CH2:13][CH2:12][N:11]1[C:15](=[O:30])[CH:16]([CH2:26][CH:27]([CH3:29])[CH3:28])[NH:17][C:18](=[O:25])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)C1C=CC=CC=1.[H][H]>CO.[C].[Pd]>[C:18]([NH:17][CH:16]([C:15]([N:11]1[CH2:12][CH2:13][CH2:14][C@H:10]1[C:9]([OH:31])=[O:8])=[O:30])[CH... | 1 |
[S:1]1[CH:5]=[CH:4][C:3]([C:6]([OH:8])=[O:7])=[C:2]1C(O)=O.[C:12](O)(=[O:14])C>>[C:12]1(=[O:14])[C:4]2=[CH:5][S:1][CH:2]=[C:3]2[C:6](=[O:7])[O:8]1 | 2 |
C(C(=O)O)(=O)O.COC1=CCC=C(C1)C>O.CO[H]>CC=1CC(CCC1)=O | 3 |
[CH2:1]([O:5][C:6]1[CH:7]=[C:8]([CH:11]=[CH:12][CH:13]=1)[CH:9]=O)[CH2:2][CH2:3][CH3:4].[N+:14]([CH3:17])([O-:16])=[O:15].C([O-])(=O)C.[NH4+]>C(O)(=O)C>[CH2:1]([O:5][C:6]1[CH:13]=[CH:12][CH:11]=[C:8](/[CH:9]=[CH:17]/[N+:14]([O-:16])=[O:15])[CH:7]=1)[CH2:2][CH2:3][CH3:4] | 1 |
[Li].[CH3:2][CH2:3][C:4](=[O:10])[CH2:5][C:6](=[O:9])[CH2:7][CH3:8].CN(C)C(=O)N(C)C.[CH2:19]([C:21](=[CH:25][CH2:26][CH2:27][C:28]1[CH:33]=[CH:32][C:31]2[O:34][CH2:35][O:36][C:30]=2[CH:29]=1)[CH2:22][CH2:23]I)[CH3:20]>>[CH2:19]([C:21](=[CH:25][CH2:26][CH2:27][C:28]1[CH:33]=[CH:32][C:31]2[O:34][CH2:35][O:36][C:30]=2[CH:... | 1 |
Cl[C:2]1[CH:3]=[C:4]([C@@H:14]([NH:16][C:17]2[N:22]=[C:21]([N:23]3[C@@H:27]([C@H:28]([OH:30])[CH3:29])[CH2:26][O:25][C:24]3=[O:31])[C:20]([F:32])=[CH:19][N:18]=2)[CH3:15])[CH:5]=[N:6][C:7]=1[O:8][CH2:9][C:10]([F:13])([F:12])[F:11]>CO.[OH-].[OH-].[Pd+2]>[F:32][C:20]1[C:21]([N:23]2[C@@H:27]([C@H:28]([OH:30])[CH3:29])[CH2... | 1 |
[NH2:1][CH:2]1[CH2:11][CH:10]2[N:5]([CH2:6][CH2:7][C:8]3[CH:15]=[C:14]([O:16][CH3:17])[C:13]([O:18][CH3:19])=[CH:12][C:9]=32)[CH2:4][CH2:3]1.[OH-].[Na+].[N+:22]([C:25]1[CH:33]=[CH:32][C:28]([C:29]([Cl:31])=[O:30])=[CH:27][CH:26]=1)([O-:24])=[O:23]>C1(C)C=CC=CC=1>[ClH:31].[CH3:17][O:16][C:14]1[C:13]([O:18][CH3:19])=[CH:... | 1 |
COC(=O)C1=C(OC2=C(C=C(S2)C(=O)OC)[N+](=O)[O-])C=CC=C1>>O=C1NC2=C(OC3=C1C=CC=C3)SC(=C2)C(=O)OC | 5 |
C[O:2][C:3]([C:5]1[C:10]([NH:11][S:12]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[C:17]([Cl:22])[CH:16]=2)(=[O:14])=[O:13])=[N:9][CH:8]=[CH:7][N:6]=1)=[O:4].[OH-].[Na+]>CO>[Cl:22][C:17]1[CH:16]=[C:15]([S:12]([NH:11][C:10]2[C:5]([C:3]([OH:4])=[O:2])=[N:6][CH:7]=[CH:8][N:9]=2)(=[O:14])=[O:13])[CH:20]=[CH:19][C:18]=1[Cl:21] | 1 |
FC=1C=C(C(=O)Cl)C=C(C1)F.[C@H]1(CCC2=CC=CC=C12)NC1=NC2=CC=CC(=C2C=C1)[N+](=O)[O-]>c1ccncc1>FC=1C=C(C(=O)NC2=C3C=CC(=NC3=CC=C2)N[C@@H]2CCC3=CC=CC=C23)C=C(C1)F | 3 |
[C:1]([C@H:5]1[CH2:10][CH2:9][C@H:8]([O:11][C:12]2[C:13]([C:30]([F:33])([F:32])[F:31])=[C:14]3[C:19](=[CH:20][CH:21]=2)[CH:18]=[C:17]([C:22]2([CH2:28][OH:29])[CH2:26][O:25][C:24]([CH3:27])=[N:23]2)[CH:16]=[CH:15]3)[CH2:7][CH2:6]1)([CH3:4])([CH3:3])[CH3:2].C(N(CC)[P:37]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])[O:38][C:... | 2 |
C(#N)C1=C(C(=C(C(=O)OC)C=C1CC1=CC=C(C=C1)N1N=CC=C1)OS(=O)(=O)C(F)(F)F)C>>C(#N)C1=C(C(=C(C(=O)OC)C=C1CC1=CC=C(C=C1)N1N=CC=C1)C=C)C | 5 |
CN1CC2=C(NC=3C=CC(=CC23)C)CC1.BrC=C(C)C1=NC=CC=C1>>CN1CC2=C(N(C=3C=CC(=CC23)C)\C=C(/C)\C2=NC=CC=C2)CC1 | 5 |
Cl.Cl.C(C1=CC=CC=C1)ONC1=CC=CC(=C1)CCN(CCC)CCC>CO[H].[HH].[Pd]>Cl.Cl.NC=1C=C(C=CC1O)CCN(CCC)CCC | 3 |
CC1C(CSC1)CN1C(C2=CC=CC=C2C1=O)=O>>BrCC=1C(=CSC1)CN1C(C2=CC=CC=C2C1=O)=O | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([OH:12])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6].C(=O)([O-])[O-].[K+].[K+].I[CH:20]([CH3:22])[CH3:21].O>CN(C=O)C.C1(C)C=CC=CC=1>[OH:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([O:12][CH:20]([CH3:22])[CH3:21])[CH:11]=1)[C:5]([O:7][CH3:8])=[O:6] | 1 |
[C:1]([O:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][CH2:14][O:15][C:16](=[O:18])[CH3:17])=[CH:8][N:7]=1)(=[O:3])[CH3:2].ClC1C=CC=C(C(OO)=[O:27])C=1.C(=O)(O)[O-].[Na+]>ClCCl>[C:1]([O:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][CH2:14][O:15][C:16](=[O:18])[CH3:17])=[CH:8][N+:7]=1[O-:27])(=[O:3])[CH3:2] | 1 |
Cl.FC=1C=C(CN2C(=CC=3C2=C(N=CC3)N3CC2=CC=CC=C2CC3)C)C=CC1>>Cl.BrC1=C(N(C2=C(N=CC=C21)N2CC1=CC=CC=C1CC2)CC2=CC(=CC=C2)F)C | 5 |
ClC(CC(C)OC(=O)CCCN1CCC(CC1)COC(=O)C1=CNC2=CC=CC=C12)(Cl)Cl>C1CCCO1.[Zn].P(=O)(O)(O)[O-].[K+]>C(=O)(O)CCCN1CCC(CC1)COC(=O)C1=CNC2=CC=CC=C12 | 3 |
C(C)[S-].[Na+].ClC1=C(C=CC=C1)C=1C=C2C=NC(=NC2=C(C1)OC)C1=CC=CC=C1>N(C)(C)C=O>ClC1=C(C=CC=C1)C=1C=C2C=NC(=NC2=C(C1)O)C1=CC=CC=C1 | 3 |
C(C)OC(C(C(=O)O)F)=O.C1C(CC2=CC=CC=C12)NC1=NC=C(C=N1)C(=O)NN>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>C1C(CC2=CC=CC=C12)NC1=NC=C(C=N1)C(=O)NNC(C(C(=O)OCC)F)=O | 3 |
S1C(=NC2=C1C=CC=C2)N2NC(=CC2=O)C2=CC(=CC=C2)C(F)(F)F>C1CCCO1.COC(N(C)C)OC>S1C(=NC2=C1C=CC=C2)N2N=C(C(C2=O)=CN(C)C)C2=CC(=CC=C2)C(F)(F)F | 3 |
[CH2:1]([N:7]1[CH:11]=[C:10]([C:12]([NH:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([O:22][C:23]([F:26])([F:25])[F:24])[CH:17]=2)=[O:13])[N:9]=[N:8]1)[CH2:2][CH2:3][CH2:4][C:5]#[CH:6].O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+].[N:40]([CH2:43][CH:44]1[CH2:49][CH2:48][N:47]([C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54... | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5](Br)=[CH:4][CH:3]=1.[Li]CCCC.[Cl:14][C:15]1[CH:26]=[CH:25][C:18]([C:19](N(OC)C)=[O:20])=[CH:17][N:16]=1>C1COCC1>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:19]([C:18]2[CH:17]=[N:16][C:15]([Cl:14])=[CH:26][CH:25]=2)=[O:20])=[CH:4][CH:3]=1 | 1 |
C(=O)(OC(C)(C)C)N[C@@H](CO)C(=O)O.C(OCCOCCO[N+](=O)[O-])(OC1=CC=C(C=C1)[N+](=O)[O-])=O>>CC(C)(OC(NC(COC(OCCOCCO[N+](=O)[O-])=O)C(=O)O)=O)C | 5 |
[NH2:1][C@H:2]([C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)[CH2:3][N:4]1[C:9](=[O:10])[C:8]2[C:11]3([O:25][CH2:26][C:7]=2[N:6]([CH2:27][C:28]2[C:33]([C:34]([F:37])([F:36])[F:35])=[CH:32][CH:31]=[CH:30][C:29]=2[F:38])[C:5]1=[O:39])[CH2:16][CH2:15][N:14]([CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([Cl:24])[CH:19]=1)[... | 2 |
Br[CH2:2]/[CH:3]=[CH:4]/[C:5]([OH:7])=O.Cl.[Cl:9][C:10]1[CH:11]=[C:12]([OH:30])[CH:13]=[C:14]([NH:16][C:17]2[C:18]3[C:25]4[CH2:26][CH2:27][NH:28][CH2:29][C:24]=4[S:23][C:19]=3[N:20]=[CH:21][N:22]=2)[CH:15]=1.[CH3:31][O:32][CH2:33][CH2:34][NH:35][CH3:36]>>[Cl:9][C:10]1[CH:11]=[C:12]([OH:30])[CH:13]=[C:14]([NH:16][C:17]2... | 1 |
ClC1=NC(=CC=C1C(=O)NS(=O)(=O)C=1C(=NN(C1)C)C)N1N=C(C=C1)OCC1(CC1)C(F)(F)F.C(C)C1CC(NC1)(C)C>CS(=O)C.[F-].[Cs+]>CN1N=C(C(=C1)S(=O)(=O)NC(=O)C=1C(=NC(=CC1)N1N=C(C=C1)OCC1(CC1)C(F)(F)F)N1C(CC(C1)CC)(C)C)C | 3 |
[C:1]([C:9]12[N:15](C(OC(C)(C)C)=O)[CH:12]([CH2:13][CH2:14]1)[CH2:11][CH2:10]2)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[ClH:23]>O1CCOCC1>[ClH:23].[C:9]12([C:1]([C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=3)=[O:8])[NH:15][CH:12]([CH2:13][CH2:14]1)[CH2:11][CH2:10]2 | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[N:14]=[C:13]3[CH2:15][CH2:16][CH2:17][C:12]3=[C:11]([NH:18][C:19]3[CH:24]=[CH:23][C:22]([CH2:25][C:26](OCC)=[O:27])=[CH:21][CH:20]=3)[CH:10]=2)[CH:5]=[CH:6][C:7]=1[Cl:8].NC1C=CC(CCO)=CC=1>>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[N:14]=[C:13]3[CH2:15][CH2:16][CH2:17][C:12]3=[C:11]([NH:18]... | 1 |
Cl.ClC1=C(C(=CC=C1)Cl)NC(=NC)NC(=O)N>[OH-].[Na+]>ClC1=C(C(=CC=C1)Cl)NC(=NC)NC(=O)N | 3 |
C(C)OC(CCC(=O)NNC(C1=CC(=C(C=C1)F)F)=O)=O>>C(C)OC(CCC=1OC(=NN1)C1=CC(=C(C=C1)F)F)=O | 5 |
FC(C(=O)C1=CN=C(S1)S)(F)F>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.C(C)(=O)OCC>C(C)OC(CC(C(F)(F)F)(C1=CN=C(S1)S)O)=O | 3 |
ClC1=C(C(=O)O)C=CC=N1.ClC1=CC(=C(OCC(=O)N2[C@@H](CN([C@H](C2)C)CC2=CC=C(C=C2)F)C)C=C1)O>[Cu]I.N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[Cu]>ClC=1C=CC(=C(OC2=C(C(=O)O)C=CC=N2)C1)OCC(=O)N1[C@@H](CN([C@H](C1)C)CC1=CC=C(C=C1)F)C | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9]([C:11]1[CH:16]=[CH:15][N:14]=[CH:13][CH:12]=1)=[O:10].[CH3:17][C:18]([C:22]1[CH:27]=[CH:26][C:25]([S:28](Cl)(=[O:30])=[O:29])=[CH:24][CH:23]=1)([CH3:21])[CH2:19][CH3:20]>>[Cl:8][C:5]1[CH:6]=[CH:7][C:2]([NH:1][S:28]([C:25]2[CH:26]=[CH:27][C:22]([C:18]([CH3:17])(... | 1 |
ClC1=NC=NC(=C1C(=O)NC1=CC=C(C=C1)S(NC)(=O)=O)Cl>>NC1=NC=NC(=C1C(=O)NC1=CC=C(C=C1)S(NC)(=O)=O)Cl | 5 |
ClC1=CC=C(C(=O)OC)C=C1>CCO[H].O.NN>ClC1=CC=C(C(=O)NN)C=C1 | 3 |
C1(CCCC1)N.FC1=C(C=CC=C1)N1S(N(C2=C1C=CC=C2)CC[C@@H]2OC2)(=O)=O>CO[H]>C1(CCCC1)NC[C@H](CCN1S(N(C2=C1C=CC=C2)C2=C(C=CC=C2)F)(=O)=O)O | 3 |
[OH:1][C:2]1[CH:36]=[CH:35][C:5]([C:6]([CH2:8][NH:9][C:10]2[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[CH:12][C:11]=2[CH:18]2[CH2:27][CH2:26][C:25]3[CH:24]=[C:23]([O:28]C(=O)C(C)(C)C)[CH:22]=[CH:21][C:20]=3[CH2:19]2)=O)=[CH:4][CH:3]=1.[N:37]1([C:41](=O)[CH2:42]Cl)[CH2:40][CH2:39][CH2:38]1>>[N:37]1([CH2:41][CH2:42][O:1][C:2]... | 1 |
C(#N)C1=CC=C(C=C1)NC(=O)C1C(C2(C(N1)CC(C)(C)C)C(NC1=CC(=CC=C12)Cl)=O)C1=C(C(=CC=C1)Br)F>O(O[H])[H].[OH-].[Na+].CS(=O)C>C(N)(=O)C1=CC=C(C=C1)NC(=O)C1C(C2(C(N1)CC(C)(C)C)C(NC1=CC(=CC=C12)Cl)=O)C1=C(C(=CC=C1)Br)F | 3 |
O(C[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[S:15](=[O:18])(=[O:17])[NH2:16])C1C=CC=CC=1.C[OH:20]>[Pd]>[OH:20][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[S:15](=[O:18])(=[O:17])[NH2:16] | 1 |
[Cl:1][C:2]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:3]=1[CH2:4][NH:5][C:6]([C:8]1[C:9]([O:16][CH2:17][CH3:18])=[N:10][N:11]([CH2:13][CH2:14][OH:15])[CH:12]=1)=[O:7].[CH2:24]([C:26]1[C:27](O)=[C:28]([CH2:32][C:33]([O:35]C)=[O:34])[CH:29]=[CH:30][CH:31]=1)[CH3:25].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC... | 2 |
C(CCC)[Sn](C=1C=NC=CC1)(CCCC)CCCC.FC(S(=O)(=O)OC1=CC(=C(C=C1)SC1CC2CCC(C1)N2C)Cl)(F)F>[Cl-].[Li+].CN1C(CCC1)=O.[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.C1(=CC=CC=C1)[As](C1=CC=CC=C1)C1=CC=CC=C1>ClC1=C(C=CC(=C1)C=1C=NC=CC1)SC1CC2CCC(C1)N2C | 3 |
[NH2:1][C@@H:2]([CH2:17][CH:18]1[CH2:23][CH2:22][O:21][CH2:20][CH2:19]1)[C@H:3]([OH:16])[CH2:4][N:5]([CH3:15])[C:6](=[O:14])[O:7][CH2:8][CH2:9][Si:10]([CH3:13])([CH3:12])[CH3:11].N1C=CC=CC=1.[Si:30](Cl)([CH3:33])([CH3:32])[CH3:31]>C1COCC1>[NH2:1][C@@H:2]([CH2:17][CH:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1)[C@H:3]([... | 1 |
[BH4-].[Na+].[CH3:3][O:4][C:5]1[CH:6]=[C:7](/[CH:17]=[CH:18]/[C:19]2[N:39]=[C:22]3[CH:23]([C:27]4[CH:32]=[CH:31][C:30]([C:33](=[O:38])[CH2:34][CH2:35][CH2:36][CH3:37])=[CH:29][CH:28]=4)[CH2:24][CH2:25][CH2:26][N:21]3[N:20]=2)[CH:8]=[CH:9][C:10]=1[N:11]1[CH:15]=[C:14]([CH3:16])[N:13]=[CH:12]1.C(OCC)(=O)C>CO.[Cl-].[Na+].... | 1 |
BrC1=CC(=C(C=O)C=C1)F>NN>BrC1=CC=C2C=NNC2=C1 | 3 |
ClC=1C=C(C=C)C=CC1>>ClC=1C=C(C2CO2)C=CC1 | 5 |
CC1=NNC2=NC=NC(=C21)N.ClC=1C(=C(C(=C(C1)C(C)Cl)OCC)C1CN(C1)C(=O)OC(C)(C)C)F>N(C)(C)C=O.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=C2C(=NC=N1)N(N=C2C)C(C)C=2C(=C(C(=C(C2)Cl)F)C2CN(C2)C(=O)OC(C)(C)C)OCC | 3 |
ON=C(N)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C.O=C1CC2(CC(C2)C(=O)O)C1>>CC1=C(C=C(C=C1)C1=NOC(=N1)C1CC2(C1)CC(C2)=O)NC(=O)C2=CN=C1N2C=CC=C1 | 5 |
[NH:1]([C:8]1[N:9]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:10]2[C:15]([C:16](=[O:18])[CH:17]=1)=[CH:14][C:13]([F:19])=[C:12](Cl)[N:11]=2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl-].C[Zn+].[CH2:30](N(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O>C1COCC1.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C... | 1 |
N1=CC(=CC=C1)B(O)O.BrC=1C=C2N(C(C3N(C2=O)CCN3)C3=CC=C(C=C3)CO)C1>>OCC1=CC=C(C=C1)C12N(C(C=3N(C1)C=C(C3)C=3C=NC=CC3)=O)CCN2 | 5 |
[Cl:1][C:2]1[N:11]=[C:10](Cl)[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([O:13][CH3:14])[CH:8]=2)[N:3]=1.C(N(CC)CC)C.[C:22]([O:26][C:27]([NH:29][C@@H:30]1[CH2:35][CH2:34][CH2:33][CH2:32][C@@H:31]1[NH2:36])=[O:28])([CH3:25])([CH3:24])[CH3:23]>C(Cl)Cl>[C:22]([O:26][C:27]([NH:29][C@@H:30]1[CH2:35][CH2:34][CH2:33][CH2:32][C@@H:31]1[NH... | 1 |
CN.C(C)(=O)C1=C(CN2C(NC(C3=C2C=CN3)=O)=S)C=CC(=C1)Cl>>ClC1=CC(=C(CN2C(NC(C3=C2C=CN3)=O)=S)C=C1)C(C)NC | 5 |
FC1=C(OC2=C1C=C(C=C2COC2=C(C(=C(C=C2)CCC(=O)OCC)C)C)F)C>O.C1CCCO1.[OH-].[Li+]>FC1=C(OC2=C1C=C(C=C2COC2=C(C(=C(C=C2)CCC(=O)O)C)C)F)C | 3 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=O)=[CH:4][CH:3]=1.[CH3:10][C:11]([S@@:14]([NH2:16])=[O:15])([CH3:13])[CH3:12].CC([S@](N)=O)(C)C.C(Cl)Cl>O1CCCC1.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].O>[Cl:1][C:2]1[CH:9]=[CH:8][C:5](/[CH:6]=[N:16]/[S:14]([C:11]([CH3:13])([CH3:12])[CH3:10])=[O:15])=[CH:4][CH:3]=1 | 1 |
C1(=CC=CC=C1)C1CNCC1.FC=1C=C(C=CC1)C1=C(C=NO1)C(=O)O>>FC=1C=C(C=CC1)C1=C(C=NO1)C(=O)N1CC(CC1)C1=CC=CC=C1 | 5 |
O=C1C(CCCC1)N1C=NC(=C1C1=CC=CC=C1)C(=O)OCC>>O1C[C@@]12[C@H](CCCC2)N2C=NC(=C2C2=CC=CC=C2)C(=O)OCC | 5 |
[F:1][C:2]1[CH:3]=[C:4]([NH2:9])[CH:5]=[CH:6][C:7]=1[I:8].[O:10](C(OC(C)(C)C)=O)[C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=O.O.CCOC(C)=O>O1CCOCC1.CN(C1C=CN=CC=1)C>[C:14]([O:13][C:11](=[O:10])[NH:9][C:4]1[CH:5]=[CH:6][C:7]([I:8])=[C:2]([F:1])[CH:3]=1)([CH3:17])([CH3:16])[CH3:15] | 1 |
FC(F)(F)C(O)=O.[CH2:8]([C@@H:15]1[CH2:20][C@@H:19]([N:21]([CH2:28][C:29]2[C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[N:32]=[CH:31][CH:30]=2)C(=O)C(F)(F)F)[CH2:18][CH2:17][N:16]1[C:39](=[O:56])[C@H:40]([CH2:49][C:50]1[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=1)[NH:41]C(OC(C)(C)C)=O)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C... | 1 |
Cl[C:2]1[N:7]=[CH:6][C:5]([C:8](=[O:10])[CH3:9])=[CH:4][CH:3]=1.[CH3:11][N:12]1[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1>>[CH3:11][N:12]1[CH2:17][CH2:16][N:15]([C:2]2[N:7]=[CH:6][C:5]([C:8](=[O:10])[CH3:9])=[CH:4][CH:3]=2)[CH2:14][CH2:13]1 | 2 |
[C:1]([O:5][C@@H:6]([C:12]1[C:13]([CH3:27])=[N:14][C:15]2[N:16]([N:19]=[C:20]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[CH:21]=2)[C:17]=1I)[C:7]([O:9][CH2:10][CH3:11])=[O:8])([CH3:4])([CH3:3])[CH3:2].[Si:28]([O:45][C@H:46]([CH3:59])[CH2:47][CH2:48][CH2:49][CH2:50][O:51][C:52]1([CH3:58])[CH2:57][CH2:56][NH:55][CH2:54][CH2:... | 1 |
CN(C(=O)[C@H]1NC[C@@H](C1)O)C>O.[HH].C(C)(=O)O.C=O.[Pt](=O)=O>CN1[C@@H](C[C@H](C1)O)C(=O)N(C)C | 3 |
ClC=1C=C(C=C(C1O)Cl)C=1C=C2C(=C(C=NC2=CC1)C(CC)=O)N[C@@H]1CC[C@H](CC1)CN(C)C>>Cl.Cl.ClC=1C=C(C=C(C1O)Cl)C=1C=C2C(=C(C=NC2=CC1)C(CC)=O)N[C@@H]1CC[C@H](CC1)CN(C)C | 5 |
[C:1]1(/[CH:7]=[CH:8]/[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C[N+]1([O-])CC[O:19]CC1.[OH2:23].CC(C)=O.C(#N)C>>[C:1]1([CH:7]([OH:19])[CH:8]([C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)[OH:23])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C(C)OC(=O)CCNC1=CC=CC=C1.CNC1=C(C=C(C(=O)Cl)C=C1)[N+](=O)[O-]>>C1(=CC=CC=C1)N(C(C1=CC(=C(C=C1)NC)[N+](=O)[O-])=O)CCC(=O)OCC | 5 |
[C:1]1([CH3:52])[CH:6]=[CH:5][C:4]([S:7]([NH:10][CH2:11][CH2:12][CH2:13][N:14]([S:42]([C:45]2[CH:50]=[CH:49][C:48]([CH3:51])=[CH:47][CH:46]=2)(=[O:44])=[O:43])[CH2:15][CH2:16][N:17]([S:32]([C:35]2[CH:40]=[CH:39][C:38]([CH3:41])=[CH:37][CH:36]=2)(=[O:34])=[O:33])[CH2:18][CH2:19][CH2:20][NH:21][S:22]([C:25]2[CH:30]=[CH:2... | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)(=[O:10])=[O:9])=[CH:4][C:3]=1[S:17]([NH:20][CH:21]1[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1)(=[O:19])=[O:18].CN1CCOCC1.[O:34]1[CH:38]=[CH:37][CH:36]=[C:35]1[C:39](Cl)=[O:40]>ClCCl>[O:34]1[CH:38]=[CH:37][CH:36]=[C:35]1[C:39]([N:24]1[CH... | 2 |
ClC=1C=C(C=CC1)N(C(=O)N1CCN(CC1)CC)CC1=CC=C(C=C1)C(=O)NNC(C(F)(F)F)=O>C1CCCO1.CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC>ClC=1C=C(C=CC1)N(C(=O)N1CCN(CC1)CC)CC1=CC=C(C=C1)C=1OC(=NN1)C(F)(F)F | 3 |
[C:1]1(C=O)[C:10]2[C:4]([CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=2)=[C:3](C=O)[CH:2]=1.S([O-])([O-])(=O)=O.[Mg+2].Cl.C(NO)(C)(C)C.C([O-])(O)=O.[Na+]>N1C=CC=CC=1.C(Cl)(Cl)Cl>[CH:1]1[C:10]2[C:4]([CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=2)=[CH:3][CH:2]=1 | 1 |
C1=CC(=CC=C1O)C.ClCC=1N=C(N(C1)C1=CC=C(C=C1)S(=O)(=O)C)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C=1N(C=C(N1)COC1=CC=C(C=C1)C)C1=CC=C(C=C1)S(=O)(=O)C | 5 |
C(C)(C)(C)C1=CC2=C(C([C@H](N(CC2)S(=O)(=O)C2=CC=C(C=C2)C)CC(C)C)O)C=C1>CO[H].[Cl-].[NH4+]>C(C)(C)(C)C1=CC2=C(C([C@H](NCC2)CC(C)C)O)C=C1 | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)SC1=NC=C(C=C1C#N)C=CC1=C(C=CC=C1Cl)Cl>C(C)OCC.[Na].CC(C)(C)O.Cl.NC(=N)N>NC=1N=C(C2=C(N1)N=CC(=C2)C=CC2=C(C=CC=C2Cl)Cl)N | 3 |
[CH3:1][O:2][N:3]=[C:4]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[C:15]#[CH:16])[C:5](OC)=[O:6].[CH3:17][NH2:18]>>[CH3:1][O:2][N:3]=[C:4]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[C:15]#[CH:16])[C:5]([NH:18][CH3:17])=[O:6] | 1 |
C1(=CC=CC=C1)B(O)O.BrC=1C=C2C(=NC1)OC1(C2)CN2CCC1CC2>CCO[H].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(=CC=CC=C1)C=1C=C2C(=NC1)OC1(C2)CN2CCC1CC2 | 3 |
[C:1]([O:10]C)(=O)[C:2]1[C:3](=[CH:5][CH:6]=[CH:7][CH:8]=1)[SH:4].[C:12]([C:14]1[CH:19]=[CH:18][C:17]([C:20]([F:23])([F:22])[F:21])=[CH:16][N:15]=1)#[N:13].C(N(CC)CC)C>C1(C)C=CC=CC=1>[F:22][C:20]([F:21])([F:23])[C:17]1[CH:18]=[CH:19][C:14]([C:12]2[S:4][C:3]3[CH:5]=[CH:6][CH:7]=[CH:8][C:2]=3[C:1](=[O:10])[N:13]=2)=[N:15... | 1 |
Cl[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([Cl:22])[C:8]=2[NH:12][C:13](=[O:21])[CH2:14][CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)[N:3]=1.[NH:23]1[CH2:27][CH2:26][C@@H:25]([OH:28])[CH2:24]1>>[Cl:22][C:7]1[C:8]([NH:12][C:13](=[O:21])[CH2:14][CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)=[C:9]2[C:... | 1 |
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