smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1COCCN1.BrC=1C=CC2=C(OCCCC2=O)C1>C1(=CC=CC=C1)C.[Ti](Cl)(Cl)(Cl)Cl>BrC=1C=CC/2=C(OCC/C=C2/N2CCOCC2)C1 | 3 |
[O:1]=[C:2]1[CH2:7][CH2:6][N:5]([C:8]([C:10]2[CH:15]=[CH:14][C:13]([C:16]3[N:17]=[CH:18][C:19]4[N:20]([C:22]([C:25]5[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=5)=[CH:23][N:24]=4)[CH:21]=3)=[CH:12][CH:11]=2)=[O:9])[CH2:4][CH2:3]1.[BH4-].[Na+]>CO>[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8]([C:10]2[CH:11]=[CH:12][C:13... | 2 |
C1(CC1)CNCCOC.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C=1C(N2C=CC3=C(C2=C(C1)C(=O)O)N=CN3C)=O>C1(=CC=CC=C1)C.N(C)(C)C=O.ClCCl.ClS(Cl)=O.CCN(CC)CC>C1(CC1)CN(C(=O)C=1C=C(C(N2C=CC3=C(C12)N=CN3C)=O)C3=CC=C(C=C3)OCC3=CC=CC=C3)CCOC | 3 |
[C:1]1([C:7]2[CH:11]=[C:10]([C:12]([NH:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([OH:21])=O)=[O:13])[O:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.[NH:23]1[CH2:26][CH2:25][CH2:24]1.CCN(C(C)C)C(C)C>ClCCl.C(OCC)(=O)C.O>[N:23]1([C:19](=[O:21])[CH2:18][CH2:17][CH2:16][CH2:15][NH:14][C:12]([C:10]2[O:9][N:8]=[C:7]([C:1]3... | 2 |
Br[C:2]1[C:11](=[O:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[O:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[CH3:19][O:20][C:21]1[CH:22]=[C:23](B(O)O)[CH:24]=[CH:25][CH:26]=1>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[CH3:19][O:20][C:21]1[CH:26]=[C:25]([CH:24]=[CH:23][CH:... | 1 |
C(CCC)OC1=NC(=C2N=C(N(C2=N1)CCN1CCC(CC1)C(=O)OC)OC)N>Cl>C(CCC)OC1=NC(=C2NC(N(C2=N1)CCN1CCC(CC1)C(=O)OC)=O)N | 3 |
NC1=NC=C(C=C1Cl)Cl>>ClC=1C(=NC=C(C1)Cl)N=C=S | 5 |
C(C=C)(=O)Cl.ClC=1C(=C(C2=C(CN3[C@@H](CO2)CNCC3)C1)C#C)C1=C(C=CC=C1C)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC=1C(=C(C2=C(CN3[C@@H](CO2)CN(CC3)C(C=C)=O)C1)C#C)C1=C(C=CC=C1C)O | 3 |
ClC(=O)OC1=CC=C(C=C1)F.ClC=1C=C(C=CC1Cl)[C@H]1CN(C[C@@H]1NC)C(=O)C1CCN(CC1)C(=O)C1(CC1)C>ClCCl.C(C)(C)N(C(C)C)CC>FC1=CC=C(C=C1)OC(N(C)[C@H]1CN(C[C@@H]1C1=CC(=C(C=C1)Cl)Cl)C(=O)C1CCN(CC1)C(=O)C1(CC1)C)=O | 3 |
FC=1C=C(C=CC1)B(O)O.ClC=1C(=C(C(=C(C(=O)OC)C1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])C#N>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>ClC=1C=C(C(=C(C1C#N)[N+](=O)[O-])C1=CC(=CC=C1)F)C(=O)OC | 3 |
C(C)(=O)OC(C1=C(C=CC=C1)OC)C1=CC=C(C=C1)C(N(CC)CC)=O>CO[H].[Pd].C(=O)[O-].[NH4+]>C(C)N(C(=O)C1=CC=C(CC2=C(C=CC=C2)OC)C=C1)CC | 3 |
[O:1]=[C:2]1[NH:7][C:6]2[CH:8]=[CH:9][CH:10]=[CH:11][C:5]=2[S:4]/[C:3]/1=[CH:12]\[C:13]([O:15][CH3:16])=[O:14].[H-].[Na+].[CH2:19](Br)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>CN(C)C=O>[CH2:19]([N:7]1[C:6]2[CH:8]=[CH:9][CH:10]=[CH:11][C:5]=2[S:4]/[C:3](=[CH:12]\[C:13]([O:15][CH3:16])=[O:14])/[C:2]1=[O:1])[C:20]1[C... | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@H:11]([O:13][S:14]([CH3:17])(=[O:16])=[O:15])[CH2:10][C@@H:9]1[C:18](OC)=[O:19])=[O:7])([CH3:4])([CH3:3])[CH3:2].[BH4-].[Na+]>O1CCCC1.C(O)C>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@H:11]([O:13][S:14]([CH3:17])(=[O:15])=[O:16])[CH2:10][C@@H:9]1[CH2:18][OH:19])=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)OC(=O)C=1N(C2=CC=C(C=C2C1NC(C)=O)OCC1=CC=CC=C1)C1=CC=C(C=C1)OC(C)C>>C(C)OC(=O)C=1N(C2=CC=C(C=C2C1N(C(=O)OC(C)(C)C)C(C)=O)OCC1=CC=CC=C1)C1=CC=C(C=C1)OC(C)C | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([OH:11])=O)=[CH:4][CH:3]=1.C(Cl)(=O)C([Cl:15])=O>C1COCC1.CN(C=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([Cl:15])=[O:11])=[CH:4][CH:3]=1 | 1 |
[Br-].CC1=CC=CC(=N1)[Zn+].FC(S(=O)(=O)OC1=NC(=CC=C1)CCCC)(F)F>C1CCCO1.[Cl-].[Li+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(CCC)C1=CC=CC(=N1)C1=NC(=CC=C1)C | 3 |
C(C)(C)(C)OC(C1=CC(=CC(=C1)OCCCCCCC1=C(C(=CC=C1)OCCCC(=O)OCC)CCC(=O)OCC)C1=CC2=C(OCO2)C=C1)=O>ClCCl.C(=O)(C(F)(F)F)O>O1COC2=C1C=CC(=C2)C=2C=C(C(=O)O)C=C(C2)OCCCCCCC2=C(C(=CC=C2)OCCCC(=O)OCC)CCC(=O)OCC | 3 |
C[O:2][C:3](=[O:32])[CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH:13]([C:15]2[O:19][C:18]([C:20]3[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][CH:21]=3)=[N:17][C:16]=2[CH3:30])[CH3:14])=[CH:8][C:7]=1[CH3:31].CO.[OH-].[Li+].Cl>C1COCC1.O>[CH3:31][C:7]1[CH:8]=[C:9]([O:12][CH:13]([C:15]2[O:19][C:18]([C:2... | 1 |
ClC(COC(=O)NC1=CC(=NN1C1=CC=C(C=C1)C)C(C)(C)C)(Cl)Cl.C(C)(C)[Si](O[C@H]1CN(CC1)C1=NN=C2N1C=C(C=C2)O[C@@H]2CC[C@@H](C1=CC=CC=C21)N)(C(C)C)C(C)C>>C(C)(C)(C)C=1C=C(N(N1)C1=CC=C(C=C1)C)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2C[C@@H](CC2)O[Si](C(C)C)(C(C)C)C(C)C | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:11])=[C:6]([N:8]=[C:9]=[S:10])[CH:7]=1.[NH2:12][C:13]1[S:14][CH:15]=[C:16]([CH3:18])[N:17]=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:11])=[C:6]([NH:8][C:9]([NH:12][C:13]2[S:14][CH:15]=[C:16]([CH3:18])[N:17]=2)=[S:10])[CH:7]=1 | 1 |
N[C@@H](CCC(N)=O)C(=O)O.FC1=C2C(C(=O)OC2=O)=CC=C1>N(C)(C)C=O>NC(CCC(C(=O)O)N1C(C2=CC=CC(=C2C1=O)F)=O)=O | 3 |
C[Si]([C:5]#[C:6][C:7]1([OH:17])[CH2:16][CH2:15][C:10]2([O:14][CH2:13][CH2:12][O:11]2)[CH2:9][CH2:8]1)(C)C.C(=O)([O-])[O-].[K+].[K+].CO>>[C:6]([C:7]1([OH:17])[CH2:16][CH2:15][C:10]2([O:11][CH2:12][CH2:13][O:14]2)[CH2:9][CH2:8]1)#[CH:5] | 2 |
NC=1C=NC=CC1.COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)O)C1)OC(C)=O)C)=O>ClCCl.CCN(CC)CC.[Cl-].ClC1[NH+](CCN1C)C>N1=CC(=CC=C1)NC(C1=C(C=CC(=C1)CC=1C(C(=C(C(C1C)=O)OC)OC)=O)OC(C)=O)=O | 3 |
NC1=CC=CC2=CC=CC=C12>>BrC1=C(C2=CC=CC=C2C=C1)N | 5 |
C1(CC1)C=1C=C(C=O)C=C(C1I)O.CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1C(C1)(F)F>>C1(CC1)C=1C=C(C=O)C=C(C1I)OC[C@H]1C(C1)(F)F | 5 |
FC(C1=NC(=NO1)C1=CC=C(C(=O)N=S(=O)(C)C2=CC=C(C=C2)F)C=C1)F>O.C1CCCO1.CO[H].CSC.B>FC(C1NC(=NO1)C1=CC=C(C(=O)N=S(=O)(C)C2=CC=C(C=C2)F)C=C1)F | 3 |
CN(C(=O)C1CC1)OC.BrC=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=C(C(=CC=C2)F)F>C1CCCO1.C(C)(C)[Mg]Cl>C1(CC1)C(=O)C=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=C(C(=CC=C2)F)F | 3 |
NC1=CC=CC=C1.COC(C1=C(C(=C(C(=C1)[N+](=O)[O-])N)Cl)F)=O>CO[H]>COC(C1=C(C(=C(C(=C1)[N+](=O)[O-])N)Cl)NC1=CC=CC=C1)=O | 3 |
C(=O)(OC(C)(C)C)N1CC(C1)=O>C1CCCO1.CO[H].[HH].[Pd].C(C)(=O)O.CNC>CN(C1CN(C1)C(=O)OC(C)(C)C)C | 3 |
ClC=1C=C(C=CC1)C=1C=C(C=NC1OC)CN1N=CC(=C1)C#N>O(O[H])[H].CO[H]>ClC=1C=C(C=CC1)C=1C=C(C=NC1OC)CN1N=CC(=C1)C(=O)N | 3 |
COC(CBr)OC.C[S-].[Na+].BrC=1C=C2C=CC=NC2=CC1>CN(C(C)=O)C>COC(CSC=1C=C2C=CC=NC2=CC1)OC | 3 |
CN1C(SC(C1=O)CC(=O)O)C1=CC=CC=C1.OC(=O)C(F)(F)F.N1CCC(CC1)N1C(NC2=CC=CC=C2C1)=O>CC#N.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>CN1C(SC(C1=O)CC(=O)N1CCC(CC1)N1C(NC2=CC=CC=C2C1)=O)C1=CC=CC=C1 | 3 |
CC1=CC=C(C=C1)S(=O)(=O)OCC1(C2N(C3=CC(=CC=C3C1)Br)CCOC2)F>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC1(C2N(C3=CC(=CC=C3C1)Br)CCOC2)F | 3 |
[Br-].C[Mg+].CI.NC1=NC=C(C(=N1)N)OC=1C(=CC(=C(C1)C(C)=O)OC)C(C)C>>NC1=NC=C(C(=N1)N)OC=1C(=CC(=C(C1)C(C)(C)O)OC)C(C)C | 5 |
C(OC)(OC)OC.Cl.CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1COC2=C(O1)C(=C(C=C2)N)O>>CC1=CC=C(C=C1)S(=O)(=O)OCC1OC2=C(C=CC=3N=COC32)OC1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[O:8][C:7](=[O:12])[CH2:6][CH:5]2[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[OH-].[Na+].S([O:26][CH3:27])(OC)(=O)=O.Cl>O>[Cl:1][C:2]1[CH:11]=[CH:10][C:9]([O:26][CH3:27])=[C:4]([CH:5]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH2:6][C:7]([OH:12])=[O:8])[CH:3]=1 | 1 |
BrC=1C(=CC(=C(C1)S(=O)(=O)NCC(C)(C)O)F)C.BrC=1C=C(C(=NC1)N)C1=NC=NO1>C([O-])([O-])=O.[Na+].[Na+].COCCOC.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].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]>NC1=C(C=C(C=N1)C=1... | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.NC1=C(C(=O)NC2=C(C(=CC=C2)Br)C)C=CC=C1Cl>C1CCCO1>BrC=1C(=C(C=CC1)N1C(NC2=C(C=CC=C2C1=O)Cl)=O)C | 3 |
[C:1]([N:4]1[CH:17]([CH2:18][C:19]([OH:21])=O)[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[C:10]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]1=2)(=[O:3])[CH3:2].C(Cl)CCl.C(N(C(C)C)C(C)C)C.[NH:35]1[CH2:40][CH2:39][O:38][CH2:37][CH2:36]1.C(O)(=O)CC(CC(O)=O)(C(O)=O)O>CN(C=O)C>[C:1]([N:4]1[CH:17]([CH2:18][C:19]([N:35]2[CH2:40][CH2:3... | 2 |
C(C1=CC=CC=C1)Br.C1(CC=CC1)O>C1CCCO1.CO[H].[H-].[Na+]>C1(CC=CC1)OCC1=CC=CC=C1 | 3 |
C(OC([N:8]1[CH:12]=[CH:11][CH:10]=[C:9]1[C:13]1[CH:22]=[C:21]2[C:16]([CH:17]=[C:18]([CH2:23][CH2:24][N:25]3[CH2:29][CH2:28][CH2:27][C@H:26]3[CH3:30])[N:19]=[N:20]2)=[CH:15][CH:14]=1)=O)(C)(C)C.C[O-].[Na+]>O1CCCC1>[CH3:30][C@@H:26]1[CH2:27][CH2:28][CH2:29][N:25]1[CH2:24][CH2:23][C:18]1[N:19]=[N:20][C:21]2[C:16]([CH:17]=... | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:15](I)[CH3:16]>CN(C)C=O>[CH2:15]([O:8][C:5]1[CH:6]=[CH:7][C:2]([Br:1])=[CH:3][CH:4]=1)[CH3:16] | 1 |
O=C(CNC(=O)[C@H]1CN(CC1)C(=O)OC(C)(C)C)NC1=CC(=CC=C1)C(F)(F)F>>Cl.O=C(CNC(=O)[C@H]1CNCC1)NC1=CC(=CC=C1)C(F)(F)F | 5 |
C(C)(C)(C)OC(C[Zn]Br)=O.BrC=1C(=NC(=CC1)C1CC1)C1CC1>C1CCCO1.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].C1(=CC=CC=C1)[C-]1C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[Fe+2]>C1(CC1)C1=NC(=CC=C1CC(=O)... | 3 |
C(#C)C=1C(=NC=CC1)C(C#N)(C)C>>C(#N)C(C)(C)C1=NC=CC=C1C#CC(=O)OCC | 5 |
[F:1][C:2]([F:14])([F:13])[C:3]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:4]=1[CH2:5][CH2:6][C:7]2=[O:12].C(N(CC)CC)C.C(O)=O>ClCCl>[F:1][C:2]([F:13])([F:14])[C:3]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:4]=1[CH2:5][CH2:6][C@@H:7]2[OH:12] | 2 |
[CH2:1]([O:3][C:4](=[O:19])[CH2:5][NH:6][C:7]1[CH:12]=[C:11](F)[C:10]([O:14][CH3:15])=[CH:9][C:8]=1[N+:16]([O-:18])=[O:17])[CH3:2].[NH:20]1[CH:24]=[CH:23][N:22]=[CH:21]1>CN(C=O)C>[CH2:1]([O:3][C:4](=[O:19])[CH2:5][NH:6][C:7]1[CH:12]=[C:11]([N:20]2[CH:24]=[CH:23][N:22]=[CH:21]2)[C:10]([O:14][CH3:15])=[CH:9][C:8]=1[N+:16... | 1 |
OC1CCNCC1.C1(=CC=CC=C1)C(O)C1=CC=CC=C1>O.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(=CC=CC=C1)C(OC1CCNCC1)C1=CC=CC=C1 | 3 |
OC=1SC(=CC1C)I>N(C)(C)C=O>OCC1=CC=C(S1)C=1SC(=CC1)CO | 3 |
ClC=1C=C(C=CC1C#N)N[C@@H](C(=O)O)[C@H](C)O.CS(=O)(=O)C1=CC=C(C(=O)NN)C=C1>>ClC=1C=C(C=CC1C#N)N[C@@H](C(=O)NNC(C1=CC=C(C=C1)S(=O)(=O)C)=O)[C@H](C)O | 5 |
[C:1]([CH2:4][C:5]1[CH:39]=[CH:38][C:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13]2[CH:18]=[C:17]([O:19][CH3:20])[CH:16]=[CH:15][C:14]=2[C@@H:21]2[CH2:30][CH2:29][C:28]3[CH:27]=[C:26]([O:31]C(=O)C(C)(C)C)[CH:25]=[CH:24][C:23]=3[CH2:22]2)=[CH:7][CH:6]=1)(O)=O.[C:40]([NH:44][CH3:45])([CH3:43])([CH3:42])[CH3:41]>>[C:40]([N:44](... | 1 |
C1COCCN1.COC(=O)C=1NN=C(C1)OCC=1C(=NOC1C)C1=CC=CC=C1>O1CCOCC1.C[Al](C)C>CC1=C(C(=NO1)C1=CC=CC=C1)COC=1C=C(NN1)C(=O)N1CCOCC1 | 3 |
BrCCCCCCCCCBr>>[Br-].[Br-].C1(=CC=CC=C1)[P+](CCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
C([Li])CCC.[CH2:6]([S:13][C:14]1[N:18]=[CH:17][N:16]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[N:15]=1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[Br:25]Br>O1CCCC1>[CH2:6]([S:13][C:14]1[N:18]=[C:17]([Br:25])[N:16]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[N:15]=1)[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1 | 1 |
CC(C)=O.FC=1C=CC(=C(C1)C(C)=O)O>>FC=1C=C2C(CC(OC2=CC1)(C)C)=O | 5 |
O[C:2]1[C:10]([I:11])=[CH:9][C:5]([C:6](O)=[O:7])=[CH:4][N:3]=1.P(Cl)(Cl)([Cl:14])=O.[CH3:17][OH:18]>C1(C)C=CC=CC=1>[CH3:17][O:18][C:6](=[O:7])[C:5]1[CH:9]=[C:10]([I:11])[C:2]([Cl:14])=[N:3][CH:4]=1 | 2 |
[C:1]([C:3]1([C:8]2[CH:13]=[CH:12][C:11]([N:14]([CH2:17][CH3:18])[CH2:15][CH3:16])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][CH2:4]1)#[N:2].[H][H]>[Ni].N>[CH2:17]([N:14]([CH2:15][CH3:16])[C:11]1[CH:12]=[CH:13][C:8]([C:3]2([CH2:1][NH2:2])[CH2:4][CH2:5][CH2:6][CH2:7]2)=[CH:9][CH:10]=1)[CH3:18] | 1 |
C1(=CC=CC=C1)B(O)O.ClC1=NCC(N(C2=C1C=C(C=C2)F)C)=O>C([O-])([O-])=O.[Na+].[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]>FC=1C=CC2=C(C(=NCC(N2C)=O)C2=CC=CC=C2)C1 | 3 |
C1(CCCC1)C1=C(C=C(CCl)C=C1)C(F)(F)F.C(C)(C)(C)OC(=O)N1CCC2=C(C(=CC=C12)O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(=O)N1CCC2=C(C(=CC=C12)OCC1=CC(=C(C=C1)C1CCCC1)C(F)(F)F)C | 3 |
C([O-])(=O)C.[Na+].[NH2:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[C:15]([C:20]([O:22][CH3:23])=[O:21])=[CH:16][CH:17]=[CH:18][CH:19]=2)=[CH:10][CH:9]=1.Cl[C:25]1[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[N:28]=[C:27]([C:35]([F:38])([F:37])[F:36])[N:26]=1>O1CCCC1>[CH3:23][O:22][C:20]([C:15]1[C:14]([C:11]2[CH:12]... | 1 |
CN1CC(C1)OC=1C=C(C(=O)OC)C=C(C1)C=1SC(=CN1)C>C1CCCO1.ClCCl.C(C)(C)N(C(C)C)CC.[OH-].[Li+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CN1CC(C1)OC=1C=C(C(=O)N[C@H](C)C=2C=NC(=NC2)C(F)(F)F)C=C(C1)C=1SC(=CN1)C | 3 |
[C@@H:1]1([N:9]2[CH:16]=[CH:15][C:13](=[O:14])[NH:12][C:10]2=[O:11])[O:8][C@H:5]([CH2:6][OH:7])[C@@H:3]([OH:4])[CH2:2]1.[CH2:17](N(CC)CC)C.CO.C([O:29][CH2:30][CH3:31])(=O)C>>[C@@H:1]1([N:9]2[CH:16]=[CH:15][C:13](=[O:14])[NH:12][C:10]2=[O:11])[O:8][C@H:5]([CH2:6][OH:7])[C@@:3]([CH:17]=[CH:31][CH:30]=[O:29])([OH:4])[CH2:... | 1 |
COC1=C(C=C(C=C1)OC)S(=O)(=O)Cl.ClC1=CC2=C(NC3=C2CNCC3)N=C1>>ClC1=CC2=C(NC3=C2CN(CC3)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)N=C1 | 5 |
[CH3:1][O:2][C:3]1[CH:23]=[CH:22][CH:21]=[CH:20][C:4]=1[CH2:5][C:6]1[N:10]([C:11]2[CH:16]=[CH:15][C:14]([N+:17]([O-])=O)=[CH:13][N:12]=2)[N:9]=[N:8][N:7]=1>O1CCCC1.CO.[Pt]=O>[CH3:1][O:2][C:3]1[CH:23]=[CH:22][CH:21]=[CH:20][C:4]=1[CH2:5][C:6]1[N:10]([C:11]2[N:12]=[CH:13][C:14]([NH2:17])=[CH:15][CH:16]=2)[N:9]=[N:8][N:7]... | 2 |
C(=S)=S.C(C)C1=NC=2C(=NC(=CC2C)C)N1CC1=CC=C(C=C1)C=1C=C(C=CC1C(=O)NN)C1=CC=CC=C1>O.CCO[H].[OH-].[K+]>C(C)C1=NC=2C(=NC(=CC2C)C)N1CC1=CC=C(C=C1)C=1C=C(C=CC1C1=NNC(O1)=S)C1=CC=CC=C1 | 3 |
FC(OC=1C=C(OC2=CC=C(C#N)C=C2)C=CC1)(F)F>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC(OC=1C=C(OC2=CC=C(CN)C=C2)C=CC1)(F)F | 3 |
[C:1]([NH:3][C:4]([Cl:6])=[NH:5])#[N:2].O=P(Cl)(Cl)Cl.[CH3:12][N:13]([CH:15]=O)[CH3:14].O>ClCCl>[Cl:6][C:4]1[N:3]=[CH:1][N:2]=[C:15]([N:13]([CH3:14])[CH3:12])[N:5]=1 | 2 |
[N:1]1[C:10]2[N:9]3[CH2:11][CH2:12][O:13][CH2:14][CH:8]3[CH2:7][NH:6][C:5]=2[CH:4]=[N:3][C:2]=1[C:15]1[C:23]2[C:18](=[CH:19][C:20]([O:24][CH3:25])=[CH:21][CH:22]=2)[N:17](C(OC(C)(C)C)=O)[CH:16]=1.C(Cl)Cl.[C:36]([OH:42])([C:38]([F:41])([F:40])[F:39])=[O:37]>>[C:36]([OH:42])([C:38]([F:41])([F:40])[F:39])=[O:37].[CH3:25][... | 1 |
CN.ClC1=CC=C(C=N1)C1=CN(C2=CC(=CC=C12)F)S(=O)(=O)C1=CC=CC=C1>>FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C=1C=CC(=NC1)NC | 5 |
BrC1=CC=C2C=CNC(C2=C1)=O.BrCC1=CC=C(C(=O)OC(C)(C)C)C=C1>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(C1=CC=C(C=C1)CN1C(C2=CC(=CC=C2C=C1)Br)=O)=O | 3 |
[H-].[Na+].[OH:3][C:4]1[C:21]([I:22])=[CH:20][C:7]2[CH2:8][CH2:9][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:11][CH2:12][C:6]=2[CH:5]=1.[CH2:23](Br)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>CN(C)C=O.O.C(OCC)(=O)C>[I:22][C:21]1[C:4]([O:3][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2... | 1 |
FC(C=1C=NC=CC1O)(F)F>CO[H].Cl.[HH].[Pt](=O)=O>Cl.FC(C1CNCCC1O)(F)F | 3 |
C1(=CC=CC=C1)O.C1(CCC(=O)O1)=O>O.C([O-])([O-])=O.[Na+].[Na+]>O=C(CCC(=O)O)OC1=CC=CC=C1 | 3 |
CC1=C(C=CC=2C(OCC21)=O)/C=C/C2CCN(CC2)C(=O)OC(C)(C)C>O(O[H])[H].C1CCCO1>OC(CC1=C(C2=C(C(OC2)=O)C=C1)C)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
NC1=NC=C(N=C1)Br.BrCC(=O)C=1C=CC2=C(C=CO2)C1>>O1C=CC2=C1C=CC(=C2)C=2N=C1N(C=C(N=C1)Br)C2 | 5 |
N1=C(C=CC=C1)CN.OC(C(=O)O)C1=CC=C(C=C1)C1=NOC(=N1)C1=C(C(=NO1)C1=CC=CC=C1)C(F)(F)F>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>OC(C(=O)NCC1=NC=CC=C1)C1=CC=C(C=C1)C1=NOC(=N1)C1=C(C(=NO1)C1=CC=CC=C1)C(F)(F)F | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[O:13][N:12]=[CH:11][C:10]=1[CH2:14][CH2:15][C:16](OC)=[O:17].[H-].C([Al+]CC(C)C)C(C)C.Cl>O1CCCC1>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[O:13][N:12]=[CH:11][C:10]=1[CH2:14][CH2:15][CH2:16][OH:17] | 1 |
N1C(=CC=C1)C(C)=O>BrBr.ClCCl>BrC=1C=C(NC1)C(C)=O | 3 |
[CH:1]1([N:6]2[CH2:11][CH2:10][N:9]([C:12]([C:14]3[CH:15]=[C:16]4[C:20](=[CH:21][CH:22]=3)[NH:19][C:18]([C:23]([N:25]3[CH2:30][CH2:29][C:28]([F:32])([F:31])[CH2:27][CH2:26]3)=[O:24])=[CH:17]4)=[O:13])[CH2:8][CH2:7]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[F:33][C:34]([F:45])([F:44])[C:35]1[CH:40]=[CH:39][C:38](B(O)O)=[CH:37][CH... | 1 |
N1=CC=C(C2=CC=CC=C12)B(O)O.ClC=1C(=CNC(C1)=O)C(=O)OC>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].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>O=C1C=C(C(=CN1)C(=O)OC)C1=CC=NC2=CC=CC=C12 | 3 |
C[C:2]1[C:10]2[N:9]=[C:8]([C:11]([F:14])([F:13])[F:12])[N:7]([C:15]3[CH:20]=[N:19][C:18]([NH:21][C:22](=[O:31])[C:23]4[C:28]([F:29])=[CH:27][CH:26]=[CH:25][C:24]=4[F:30])=[CH:17][N:16]=3)[C:6]=2[CH:5]=[CH:4][C:3]=1[C:32](O)=[O:33].C(Cl)(=O)C(Cl)=O.CCN(CC)CC.[CH2:48]([O:50][CH:51]([O:54][CH2:55][CH3:56])[CH2:52][NH2:53]... | 1 |
BrCC1=CC=C(C(=O)O)C=C1.CN1CC2(CCNCC2)C2=CC=CC=C12>>CN1CC2(CCN(CC2)CC2=CC=C(C(=O)O)C=C2)C2=CC=CC=C12 | 5 |
CS(=O)(=O)Cl.[NH+]1(C=CC=2C1=NC=CC2)[O-]>N(C)(C)C=O>ClC1=C2C(=NC=C1)NC=C2 | 3 |
N[C@H]1[C@H](CCCC1)C(=O)O>>COC(=O)[C@@H]1[C@@H](CCCC1)N | 5 |
ClC1=C(C=CC=C1)B(O)O.FC(S(=O)(=O)OC1=C(C=C(C=C1)N1C[C@H](OC2=C(C1=O)C(=NC=N2)N)C)F)(F)F>COCCOC.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+]>NC1=NC=NC2=C1C(N(C[C@H](O2)C)C2=CC(=C(C=C2)C2=C(C=CC=C2)Cl)F)=O | 3 |
C([O:8][NH:9][C:10]([C:12]1[C:17]([O:18]CC2C=CC=CC=2)=[C:16]([CH2:26][OH:27])[C:15]([C:28]([NH:30][CH2:31][C:32]2[CH:37]=[CH:36][C:35]([O:38][CH3:39])=[CH:34][CH:33]=2)=[O:29])=[CH:14][N:13]=1)=[O:11])C1C=CC=CC=1>[Pd].CO>[OH:8][NH:9][C:10]([C:12]1[C:17]([OH:18])=[C:16]([CH2:26][OH:27])[C:15]([C:28]([NH:30][CH2:31][C:32... | 1 |
FC=1C(=C(C=CC1)CO)CO>>FC1=C(C(=CC=C1)C=O)C=O | 5 |
C(N)(=O)C1(CC1)C1=C(CCC2=NC(=NC=C2C(F)(F)F)NC=2C=NN(C2)C2CCN(CC2)C(=O)OC(C)(C)C)C=CC=C1>ClCCl.C(=O)(C(F)(F)F)O>N1CCC(CC1)N1N=CC(=C1)NC1=NC=C(C(=N1)CCC1=C(C=CC=C1)C1(CC1)C(=O)N)C(F)(F)F | 3 |
CN(C)CCN(C)C.C([Li])CCC.[O:14]1[CH2:19][CH2:18][CH2:17][CH2:16][CH:15]1[O:20][C:21]1[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][CH:22]=1.Cl[Si:32]([CH3:35])([CH3:34])[CH3:33]>CCCCCC.O1CCCC1.O>[CH3:33][Si:32]([CH3:35])([CH3:34])[C:22]1[CH:23]=[C:24]([C:27]([F:28])([F:29])[F:30])[CH:25]=[CH:26][C:21]=1[O:... | 2 |
BrCC(=O)OCC.NC=1C2=C(N=CN1)NC=C2C2=CC=C(C=C2)OC2=CC=CC=C2>>NC=1C2=C(N=CN1)N(C=C2C2=CC=C(C=C2)OC2=CC=CC=C2)CC(=O)OCC | 5 |
[C:1]([C:5]1[CH:6]=[C:7]([NH:16][C:17](=[O:66])[NH:18][C:19]2[C:28]3[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=3)[C:22]([O:29][C:30]3[CH:35]=[CH:34][N:33]=[C:32]([NH:36][C:37]4[CH:38]=[C:39]([CH:51]=[C:52]([C:54]#[C:55][Si](C(C)C)(C(C)C)C(C)C)[CH:53]=4)[C:40]([NH:42][CH2:43][CH2:44][N:45]4[CH2:50][CH2:49][O:48][CH2:47][CH2:... | 2 |
[F:1][C:2]([F:41])([F:40])[C:3]1[CH:4]=[C:5]([CH:33]=[C:34]([C:36]([F:39])([F:38])[F:37])[CH:35]=1)[CH2:6][N:7]([CH2:14][C:15]1[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[CH:17][C:16]=1[CH:25]([OH:32])[CH2:26][CH:27]1[CH2:31][CH2:30][CH2:29][CH2:28]1)[C:8]1[N:9]=[N:10][N:11]([CH3:13])[N:12]=1.[CH3:42]OC.CI.FC(... | 1 |
N1N=NC2=C1C=CC(=C2)C(=O)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>N1N=NC2=C1C=CC(=C2)C(=O)N | 3 |
NC1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C.BrCC=1C=C2COCC2=CC1>CC#N.O.C([O-])([O-])=O.[K+].[K+].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]>C1OCC2=CC(=CC=C12)CC=1C=CC(=NC1)N | 3 |
[F:1][C:2]([F:14])([F:13])[C:3]1[CH:7]=[C:6]([C:8](OCC)=O)[NH:5][N:4]=1.[H-].C([Al+]CC(C)C)C(C)C.S([O-])([O-])(=O)=O.[Na+].[Na+].S(Cl)([Cl:34])=O>ClCCl.O1CCCC1>[Cl:34][CH2:8][C:6]1[NH:5][N:4]=[C:3]([C:2]([F:14])([F:13])[F:1])[CH:7]=1 | 1 |
BrC=1C=C(C#N)C=CC1.COC=1C=C2C=CNC(C2=CC1)=O>[Cu]I.C([O-])([O-])=O.[K+].[K+].N1[C@H](C(=O)O)CCC1>COC=1C=C2C=CN(C(C2=CC1)=O)C=1C=C(C#N)C=CC1 | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)O.ClC1=CC(=NC=C1)C(=O)OC(C)C>ClC1=CC=CC=C1>[N+](=O)([O-])C1=CC=C(OC2=CC(=NC=C2)C(=O)OC(C)C)C=C1 | 3 |
ClC1=NC=C(C(=O)N)C=C1[N+](=O)[O-].Cl.Cl.NC/C=C/CNC1=C(C=C(C=N1)C(=O)N)[N+](=O)[O-]>CC#N.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>C(N)(=O)C=1C=C(C(=NC1)NC/C=C/CNC1=C(C=C(C=N1)C(=O)N)[N+](=O)[O-])[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(CCC1=C(C=C(C=C1)OCCC=1N=C(OC1C)C1=CC=CC=C1)CN(C)C(=O)C1=C(SC(=C1)Cl)Cl)=O>ClCCl.C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)OC>ClC=1SC(=CC1C(=O)N(C)CC1=C(C=CC(=C1)OCCC=1N=C(OC1C)C1=CC=CC=C1)CCC(=O)O)Cl | 3 |
C(C)(C)OB(OC(C)C)OC(C)C.ClC1=C(C=C(C(=C1)I)OC)C1=CC(=CC=C1)F>C1CCCO1.C(CCC)[Li]>ClC1=C(C=C(C(=C1)B(O)O)OC)C1=CC(=CC=C1)F | 3 |
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