smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(=O)N(OC)C(C)=O.N1(N=CC=C1)C=1C=C(C=CC1)C1(C(C1)CC)NCC(C(CC1=CC(=CC(=C1)F)F)N)O>ClCCl.CCN(CC)CC>N1(N=CC=C1)C=1C=C(C=CC1)C1(C(C1)CC)NCC(C(CC1=CC(=CC(=C1)F)F)NC(C)=O)O | 3 |
[C:1](O)(=O)[C:2]1C=CC=CC=1.Br[C:11](Br)=[CH:12][C:13]1(C=O)[CH:22]=[CH:21][C:20]2[CH2:19][N:18]([CH:23]3[CH2:25][CH2:24]3)[CH2:17][C:16]([CH3:27])([CH3:26])[C:15]=2[CH2:14]1.FC1C=C(O)C=CC=1C(O)=O.C1(N2CC(C)(C)C3C(=CC=C(C=O)C=3)C2)CC1.[OH-].[Na+]>O1CCCC1.C(O)C>[C:12]([C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][CH:22]=1)[CH:1... | 2 |
I[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[OH:10].[CH:11]#[C:12][CH3:13]>CN(C)C=O.CN(C)C(N(C)C)=N.[Cu]I.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>[CH3:9][O:8][C:5]1[CH:6]=[CH:7][C:2]2[CH:11]=[C:12]([CH3:13])[O:10][C:3]=2[CH:4]=1 | 1 |
F[B-](F)(F)F.C[O+](C)C.C(C)(=O)N1C(=NC(=C1C)C(C)=O)C>ClCCl>CC1=NC(=C(N1C)C(C)=O)C | 3 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([CH2:10][CH2:11][CH2:12][CH3:13])=[C:7]([C:14](=[O:34])[C:15]3[CH:20]=[CH:19][C:18]([O:21][CH2:22][CH2:23][CH2:24][N:25]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:26][CH2:27][CH2:28][CH3:29])=[CH:17][CH:16]=3)[C:6]=2[CH:35]=1.[CH3:36][S:37]([Cl:40])(=[O:39])=[O:38]>[Cl-].C[N+](C)(... | 2 |
COC(C1=C(C=CC=C1)N)=O.C(CC)[Mg]Cl>C1CCCO1.C(C)(=O)OCC.[Cl-].[NH4+]>NC1=C(C=CC=C1)C(CCC)(CCC)O | 3 |
C1=CC=CC2=CC3=CC=CC=C3C=C12>CC#N.O(O[H])[H].O.[O-2].[O-2].[O-2].[O-2].[O-2].[V+5].[V+5].[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]>BrC=1C2=CC=CC=C2C(=C2C=CC=CC12)Br | 3 |
Br[C:2]1[N:7]=[N:6][C:5]([NH2:8])=[N:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][C:10]=1[F:16].[Cl:17][C:18]1[CH:19]=[C:20](B(O)O)[CH:21]=[CH:22][CH:23]=1>>[Cl:17][C:18]1[CH:23]=[C:22]([C:2]2[N:7]=[N:6][C:5]([NH2:8])=[N:4][C:3]=2[C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][C:10]=2[F:16])[CH:21]=[CH:20][CH:19]=1 | 1 |
CS(=O)(=O)OCCCC1CCN(CC1)C1=NC(=NO1)C(C)C.COC(C(CC1=C(C=C(C=C1)O)F)NC(=O)OC(C)(C)C)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC(C(CC1=C(C=C(C=C1)OCCCC1CCN(CC1)C1=NC(=NO1)C(C)C)F)NC(=O)OC(C)(C)C)=O | 3 |
[C:1]([C:5]1[CH:6]=[CH:7][C:8]([CH3:19])=[C:9](OS(C(F)(F)F)(=O)=O)[CH:10]=1)([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.[CH3:27][Si:28]([C:31]#[CH:32])([CH3:30])[CH3:29].CN(C)C=O>CCCCCC>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([CH3:19])=[C:9]([C:32]#[C:31][Si:28]([CH3:30])([CH3:29])[CH3:27])[CH:10]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
C[Si](C)(C)C#C.C[Si](C)(C)NC1=NC=C(C=C1)Br>C1CCCO1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC.N1CCCCC1>NC1=NC=C(C=C1)C#C | 3 |
NC=1C(=CC(=C(C1)N1N=NN(C1=O)C)[C@H]1[C@@H](C1)C(F)(F)F)F.Cl.ClC1=NC=C(C(=N1)NC1CC(NC(C1)(C)C)(C)C)F>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.CC(C)O.NC=1C=C(C(=O)O)C=CC1>CC1(NC(CC(C1)NC1=NC(=NC=C1F)NC=1C(=CC(=C(C1)N1N=NN(C1=O)C)[C@H]1[C@@H](C1)C(F)(F)F)F)(C)C)C | 3 |
C(C)(C)C1CCC(CC1)O.OC=1C=C2C=CC(=CC2=CC1)CN1CCC(CC1)C(=O)OCC>>C(C)(C)C1CCC(CC1)OC=1C=C2C=CC(=CC2=CC1)CN1CCC(CC1)C(=O)OCC | 5 |
[N+](=O)([O-])C=1C=C(C=O)C=CC1.C(C)OC(CC(=O)C)=O.CC1=C(C(=CC(=C1)C)C)C1CC(CC(C1)=O)=O>>C(C)OC(=O)C1=C(NC=2CC(CC(C2C1C1=CC(=CC=C1)[N+](=O)[O-])=O)C1=C(C=C(C=C1C)C)C)C | 5 |
Br[CH2:2][C:3](=O)[C:4]([O:6][CH2:7][CH3:8])=[O:5].[NH2:10][C:11]1[S:12][C:13]2[CH:19]=[CH:18][CH:17]=[CH:16][C:14]=2[N:15]=1>CN(C=O)C>[N:10]1[C:3]([C:4]([O:6][CH2:7][CH3:8])=[O:5])=[CH:2][N:15]2[C:14]3[CH:16]=[CH:17][CH:18]=[CH:19][C:13]=3[S:12][C:11]=12 | 1 |
C(C)N1C2=CC=C(C=C2C=2C=C(C=CC12)C(CCCCl)=O)C(CCCCl)=O.ClCCC(C(=O)C=1C=CC=2N(C3=CC=C(C=C3C2C1)C(C(CCCl)C)=O)CC)C>>C(C)N1C2=CC=C(C=C2C=2C=C(C=CC12)C(C(CCN1CCCCC1)C)=O)C(C(CCN1CCCCC1)C)=O | 3 |
BrC1=CSC=C1.C1CC12CCC(CC2)C=O>C(C)OCC.C(CCC)[Li].C(C)(C)NC(C)C.[Cl-].[NH4+]>BrC1=C(SC=C1)C(O)C1CCC2(CC2)CC1 | 3 |
FC(F)(F)C(O)=O.C([O:12][C:13](=[O:30])[CH2:14][CH2:15][CH2:16][S:17][C:18]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:19]=1[C:20]([O:22][CH2:23][CH3:24])=[O:21])(C)(C)C>ClCCl>[CH2:23]([O:22][C:20]([C:19]1[CH:25]=[C:26]([F:29])[CH:27]=[CH:28][C:18]=1[S:17][CH2:16][CH2:15][CH2:14][C:13]([OH:30])=[O:12])=[O:21])[CH3:24] | 2 |
[F:1][C:2]([F:14])([F:13])[O:3][C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][CH:12]=1)[C:7]([OH:9])=O.CN(C)C=O.C(Cl)(=O)C(Cl)=O.[CH3:26][NH:27][O:28][CH3:29].C(N(CC)CC)C>ClCCl.O>[CH3:29][O:28][N:27]([CH3:26])[C:7](=[O:9])[C:6]1[CH:10]=[CH:11][CH:12]=[C:4]([O:3][C:2]([F:1])([F:14])[F:13])[CH:5]=1 | 1 |
CC1NC2=CC=CC=C2CC1.ClC=1C=C(OC2=C(C(=O)O)C=C(C=N2)F)C=CC1F>>ClC=1C=C(OC2=NC=C(C=C2C(=O)N2CCCC3=CC=CC(=C23)C)F)C=CC1F | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CC1(OB(OC1(C)C)C1=CC=C2CCCC2=C1)C>>C(C)(C)(C)OC(=O)N1C=CC2=CC=C(C=C12)B1OC(C(O1)(C)C)(C)C | 5 |
O1COC2=C1C=CC(=C2)C2(CC2)C(=O)NC=2C=C1C=C(NC1=CC2)C(C)(C)C>N(C)(C)C=O.N(C)(C)C=O.C1CCCO1.C(C)(=O)Cl.[H-].[Na+]>C(C)(=O)N1C(=CC2=CC(=CC=C12)NC(=O)C1(CC1)C1=CC2=C(OCO2)C=C1)C(C)(C)C | 3 |
C1COS(=O)(=O)C1.NC(CCCC(C)(O)C)C>>OC(CCCC(C)NCCCS(=O)(=O)O)(C)C | 5 |
O[C@@H](CNC(CCCC1=CC=C(C=C1)CCCCNC(OCC1=CC=CC=C1)=O)C)C1=CC(=CC=C1)O>>CO.[OH-].[NH4+].NCCCCC1=CC=C(C=C1)CCCC(C)NC[C@H](O)C=1C=C(C=CC1)O | 5 |
BrC=1C=C(C#N)C=C(C1)CO>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>BrC=1C=C(C#N)C=C(C1)C=O | 3 |
C(C)OC=C(C#N)C#N.FC1=C(C=CC(=C1)S(=O)(=O)C)NN>CO[H].C[O-].[Na+]>NC1=C(C=NN1C1=C(C=C(C=C1)S(=O)(=O)C)F)C#N | 3 |
[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][N:10]=1)[C:5]([OH:7])=O.[CH2:11]([N:13]([CH2:17][CH3:18])[CH2:14][CH2:15][NH2:16])[CH3:12].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.C(N(C(C)C)CC)(C)C>CN(C=O)C>[F:1][C:2]1[N:10]=[CH:9][CH:8]=[C:4]([CH:3]=1)[C:5]([NH:16][CH2:15][CH2:14][N:13]([CH2:17][CH3:18])[CH2:11][CH3:12])=[O:7] | 2 |
[Cl:1][C:2]1[C:7]([N:8]2[CH2:13][CH2:12][CH:11]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=3[O:22][CH3:23])[CH2:10][CH2:9]2)=[CH:6][N:5]=[N:4][C:3]=1[NH:24][NH:25][C:26](=O)[CH2:27][CH:28]1[CH2:30][CH2:29]1.P(Cl)(Cl)(Cl)=O>C(#N)C.C(OCC)(=O)C.O>[Cl:1][C:2]1[C:3]2[N:4]([C:26]([CH2:27][CH:28]3[CH2:30][CH2:... | 2 |
Br[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([O:11][CH3:12])[CH:6]=1)=O.[N:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[CH3:19].C(=O)([O-])[O-].[K+].[K+]>CC(C)=O>[CH3:12][O:11][C:7]1[CH:6]=[C:5]([C:3]2[CH:19]=[C:14]3[N:13]([CH:2]=2)[CH:18]=[CH:17][CH:16]=[CH:15]3)[CH:10]=[CH:9][CH:8]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1.[C:15](#[N:18])[CH:16]=[CH2:17]>>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([N:9]2[CH2:14][CH2:13][N:12]([CH2:17][CH2:16][C:15]#[N:18])[CH2:11][CH2:10]2)=[CH:7][CH:8]=1 | 1 |
[Si:1]([O:8][CH2:9][CH2:10][NH:11][C:12]1[CH:17]=[CH:16][C:15]([I:18])=[C:14]([Cl:19])[CH:13]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[Cl:20][C:21]1[C:26]([C:27](Cl)=[O:28])=[C:25]([Cl:30])[N:24]=[CH:23][N:22]=1.CCN(C(C)C)C(C)C.O>C1COCC1>[Si:1]([O:8][CH2:9][CH2:10][N:11]([C:12]1[CH:17]=[CH:16][C:15]([I:18])=... | 2 |
FC(F)(F)C([N:5]1[CH2:11][CH2:10][C:9]2[CH:12]=[C:13]([CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[C:14]([Cl:16])=[CH:15][C:8]=2[C@H:7]([CH3:24])[CH2:6]1)=O.[OH-].[Na+]>CO>[ClH:16].[CH2:17]([C:13]1[C:14]([Cl:16])=[CH:15][C:8]2[C@H:7]([CH3:24])[CH2:6][NH:5][CH2:11][CH2:10][C:9]=2[CH:12]=1)[C:18]1[CH:19]=[CH:20... | 2 |
C1(=CC=CC=C1)COC1=CC=C(C=C1)C1=CC=C2C(=NN(C2=C1)COCC[Si](C)(C)C)NC(CCC)=O>>C1(=CC=CC=C1)COC1=CC=C(C=C1)C1=CC=C2C(=NNC2=C1)NC(CCC)=O | 5 |
ClC1=CC=C(C=C1)C=1C=CC(=NC1)C#CCO.N1(CCCC1)CC1=CC=C(C=C1)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>ClC1=CC=C(C=C1)C=1C=CC(=NC1)C#CCOC1=CC=C(C=C1)CN1CCCC1 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]([NH2:10])[CH3:9])=[CH:4][CH:3]=1.[CH3:11][N:12]=[C:13]=[O:14]>C(Cl)Cl>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]([NH:10][C:13]([NH:12][CH3:11])=[O:14])[CH3:9])=[CH:4][CH:3]=1 | 1 |
[C:1]1([CH3:9])[C:2]([CH:7]=O)=[CH:3][CH:4]=[CH:5][CH:6]=1.[N:10]([CH2:13][C:14]([O:16][CH3:17])=[O:15])=[N+:11]=[N-:12]>>[CH3:9][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH:7]=[C:13]([N:10]=[N+:11]=[N-:12])[C:14]([O:16][CH3:17])=[O:15] | 1 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.ClC1=C(C=2C(=NC=C(C2NC(C)C)[N+](=O)[O-])N1COCC[Si](C)(C)C)C=1CCN(CC1)C(=O)OC(C)(C)C>O.C(C)(=O)OCC.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P... | 3 |
C(C1=CC=CC=C1)OC=1C=C(C(=O)OC)C=CC1>CO[H].Cl.[OH-].[K+]>C(C1=CC=CC=C1)OC=1C=C(C(=O)O)C=CC1 | 3 |
BrC1=CC=C(CBr)C=C1>>BrC1=CC=C(CN(CC)CC)C=C1 | 5 |
COCCl.BrC1=C(C=CC(=C1)Cl)O>>ClC=1C=CC(=C(C1)Br)OCOC | 5 |
ClC1=CC=C(C=C1)N=C=S.Cl.FC1=CC=C(C=C1)C(CN)=O>>ClC1=CC=C(C=C1)N1C(=NC=C1C1=CC=C(C=C1)F)S | 5 |
ClCC(=O)OCC.N[C@@H](CO)C1=CC=C(C=C1)F>C1CCCO1.[H-].[Na+]>FC1=CC=C(C=C1)[C@@H]1COCC(N1)=O | 3 |
NC(C(CC1=NNC=C1)NC(=O)[C@H](CC(C)C)NC(=O)C=1NC2=CC=CC(=C2C1)OC)=O>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>C(#N)C(CC1=NNC=C1)NC(=O)[C@H](CC(C)C)NC(=O)C=1NC2=CC=CC(=C2C1)OC | 3 |
ClC=1C2=C(N=CN1)N(C(C2)=O)CC2=C(C=C(C=C2)OC)OC.Cl.Cl.Cl.FC1=C(C=C(C=C1)C=1N=C(N(C1)CCN(C)C)C1CCNCC1)C(F)(F)F>O.CCN(CC)CC.CS(=O)C>CN(CCN1C(=NC(=C1)C1=CC(=C(C=C1)F)C(F)(F)F)C1CCN(CC1)C=1C2=C(N=CN1)N(C(C2)=O)CC2=C(C=C(C=C2)OC)OC)C | 3 |
[Si]([O:8][C@H:9]([C:57]1[CH:62]=[CH:61][C:60]([F:63])=[CH:59][CH:58]=1)[CH2:10][S:11][C@H:12]1[C:15](=[O:16])[N:14]([C:17]2[CH:22]=[CH:21][C:20]([C:23]#[C:24][CH2:25][NH:26][S:27]([CH3:30])(=[O:29])=[O:28])=[CH:19][CH:18]=2)[C@@H:13]1[C:31]1[CH:56]=[CH:55][C:34]([O:35][CH2:36][C:37]([NH:39][CH2:40][C:41]([NH:43][C@@H:... | 1 |
BrC1=CC=C(CN(C(C(=O)O)C(C)C)C(CCCC)=O)C=C1.N=1NN=NC1C1=C(C=CC=C1)B(O)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.[OH-].[K+]>C(=O)(O)[C@H](C(C)C)N(CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(CCCC)=O | 3 |
CC1=C(C=CC=C1)B(O)O.FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)C1=C(C=CC(=C1)Br)F)C)(F)F>O1CCOCC1.[OH-].[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]>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N... | 3 |
C[C@@]12C(=O)CC[C@H]1[C@H]1[C@@H:5]([C:6]3[CH:7]=[CH:8][C:9]([OH:20])=[CH:10][C:11]=3CC1)[CH2:4]C2.N[CH2:22][C:23]([OH:25])=[O:24].[OH-].[Na+]>>[CH3:4][C:5]1[C:6]2[CH:7]=[CH:8][C:9]([OH:20])=[CH:10][C:11]=2[O:25][C:23](=[O:24])[CH:22]=1 | 1 |
[CH3:1][O:2][C:3]1[C:8]2[N:9]=[C:10]([NH2:12])[S:11][C:7]=2[C:6]([N:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)=[CH:5][CH:4]=1.Cl[C:20](OC1C=CC=CC=1)=[O:21].[CH:29]12[O:36][CH:33]([CH2:34][CH2:35]1)[CH2:32][NH:31][CH2:30]2>>[CH3:1][O:2][C:3]1[C:8]2[N:9]=[C:10]([NH:12][C:20]([N:31]3[CH2:30][CH:29]4[O:36][CH:33]([CH2:34... | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1([CH2:12][C:13](=[O:27])[C:14]([NH:16][C:17]2[CH:18]=[C:19]3[C:24](=[CH:25][CH:26]=2)[C:22](=[O:23])[O:21][CH2:20]3)=[O:15])[CH2:11][CH2:10]1.[F:28][C:29]([Si](C)(C)C)([F:31])[F:30].C(=O)([O-])[O-].[Cs+].[Cs+].[F-].C([N+](CCCC)(CCCC)CCCC)CCC>CN(C)C=O.O1CCCC1.O>[O... | 1 |
Br[CH2:2][CH2:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([F:13])=[CH:9][CH:8]=1)=[O:5].O1CCOCCOCCOCCOCCOCC1.[OH-].[K+].[Cl-].[NH4+]>ClCCl>[F:13][C:10]1[CH:11]=[CH:12][C:7]([N:6]2[CH2:2][CH2:3][C:4]2=[O:5])=[CH:8][CH:9]=1 | 1 |
CI.BrC=1C=C2CNC(C2=CC1)=O>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>BrC=1C=C2CN(C(C2=CC1)=O)C | 3 |
COC1=C(CN(S(=O)(=O)C2=CC3=C(NC(O3)=O)C=C2F)C2=NC=NS2)C=CC(=C1)OC.OCC=1C=CC=C2C=C(N=CC12)NC(OC(C)(C)C)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C>NC=1N=CC2=C(C=CC=C2C1)CN1C(OC2=C1C=C(C(=C2)S(=O)(=O)NC2=NC=NS2)F)=O | 3 |
[CH2:1]([CH:3]([C:6]1[C:7]2[N:8]([CH:13]=[C:14]([CH3:16])[N:15]=2)[N:9]=[C:10]([CH3:12])[CH:11]=1)[CH2:4][CH3:5])[CH3:2].[Br:17][C:18]1[C:22]([Br:23])=[C:21](Br)[N:20]([CH3:25])[N:19]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C>[Br:23][C:22]1[C:18]([Br:17])=[N:19][N:20]([CH3:25])[C:21]=1[C:13]1[N:8]2[N:9]=[C:10]([CH3:12])[C... | 1 |
NC(=S)N.CC1=CC=CC(=N1)C(CC)=O>BrBr.CCO[H].C(C)(=O)O>CC1=C(N=C(S1)N)C1=NC(=CC=C1)C | 3 |
[CH3:1][O:2][C:3](=[O:33])[CH:4]([CH2:18][CH2:19][CH:20]1[CH2:25][CH2:24][N:23](C(OC(C)(C)C)=O)[CH2:22][CH2:21]1)[C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[N:7]([C:14]([O:16][CH3:17])=[O:15])[CH:6]=1.FC(F)(F)C(O)=O.C(=O)([O-])[O-].[Na+].[Na+]>ClCCl>[CH3:1][O:2][C:3](=[O:33])[CH:4]([CH2:18][CH2:19][CH:20]1[CH2:... | 2 |
[C:1]([O:9][CH2:10][CH3:11])(=[O:8])[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].Cl[CH2:13]/[CH:14]=[CH:15]\[CH2:16]Cl.CCOC(C)=O>C(O)(C)(C)C>[C:2]1([C:3]([O:5][CH2:6][CH3:7])=[O:4])([C:1]([O:9][CH2:10][CH3:11])=[O:8])[CH2:16][CH:15]=[CH:14][CH2:13]1 | 2 |
CC=1C=C(OC1C)C(=O)O.NC1=CC(=C(OCCNC(OC(C)(C)C)=O)C=C1)C1=CC=NN1C>>NCCOC1=C(C=C(C=C1)NC(=O)C=1OC(=C(C1)C)C)C=1N(N=CC1)C | 5 |
[C-]#N.[Na+].ClCC=1C=CC(=NC1)OC>>COC1=CC=C(C=N1)CC#N | 5 |
NC1=CC2=C(C=CN3C(C2=CCCN(C)C)=CC=C3)C=C1>c1ccncc1.C(C)(=O)OC(C)=O>C(C)(=O)NC1=CC2=C(C=CN3C(C2=CCCN(C)C)=CC=C3)C=C1 | 3 |
[CH3:1][O:2][C:3](=[O:13])[CH2:4][C:5]1[CH:10]=[C:9]([OH:11])[CH:8]=[C:7]([OH:12])[CH:6]=1.[CH3:14][C:15](=O)[CH2:16]C.C(=O)([O-])[O-].[K+].[K+].ICCC>>[CH3:1][O:2][C:3](=[O:13])[CH2:4][C:5]1[CH:10]=[C:9]([O:11][CH2:14][CH2:15][CH3:16])[CH:8]=[C:7]([OH:12])[CH:6]=1 | 2 |
[O:1]([C:8]1[CH:16]=[CH:15][CH:14]=[CH:13][C:9]=1[CH:10]=[N:11][OH:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClCl.C(=O)([O-])[O-].[K+].[K+].S(OC)(O[CH3:29])(=O)=O.[CH3:32][N:33](C)C=O>[C-]#N.C([N+](CC)(CC)CC)C.CCOCC.O.C(Cl)Cl>[CH3:29][O:12][N:11]=[C:10]([C:9]1[CH:13]=[CH:14][CH:15]=[CH:16][C:8]=1[O:1][C:2]1[CH:3]=[C... | 1 |
COC(CCC(=O)O)=O.ON=C(N)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C>C(=O)(C=1NC=CN1)C=1NC=CN1.CN1C(CCC1)=O>N=1C=C(N2C1C=CC=C2)C(=O)NC=2C=C(C=CC2C)C2=NOC(=N2)CCC(=O)OC | 3 |
[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:16]=[CH:15][C:14]([C:17]3[CH:18]=[N:19][CH:20]=[C:21]([CH3:23])[CH:22]=3)=[CH:13][C:8]=2[C:9]([O:11]C)=[O:10])[CH:4]=[N:3]1.[OH-].[Li+].Cl>C(O)(C)C.O>[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:16]=[CH:15][C:14]([C:17]3[CH:18]=[N:19][CH:20]=[C:21]([CH3:23])[CH:22]=3)=[CH:13][C:8]=2[C:9]([OH:... | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([NH:7][S:8]([C:11]2[CH:16]=[CH:15][C:14]([C:17]3[NH:18][C:19](=[O:26])[C:20](=[CH:24][CH:25]=3)[C:21](O)=O)=[CH:13][CH:12]=2)(=[O:10])=[O:9])[CH:2]=1.C(Cl)[Cl:28].C[Si]([Cl:34])(C)C.S(Cl)(Cl)=O>C(N(CC)CC)C>[ClH:28].[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([NH:7][S:8]([C:11]2[CH:16]=[CH:15][C:14](... | 1 |
C1(CCCCC1)N.CC1=C(C=CC(=C1)C)CN1C(=C(C(=C(C1=O)C(=O)NCC(=O)OCC)O)C(=O)OC)O>>C1(CCCCC1)NC(=O)C=1C(=C(C(N(C1O)CC1=C(C=C(C=C1)C)C)=O)C(=O)NCC(=O)O)O | 5 |
Cl[C:2]1[C:3]2[C:4](=[N:8][N:9]([CH2:11][C:12]3[CH:17]=[CH:16][C:15]([CH2:18][N:19]4[C:23]([CH3:24])=[CH:22][C:21]([CH3:25])=[N:20]4)=[CH:14][CH:13]=3)[CH:10]=2)[N:5]=[CH:6][N:7]=1.[N:26]([CH2:29][C:30]1[C:38]2[C:33](=[CH:34][CH:35]=[C:36]([Cl:39])[CH:37]=2)[NH:32][N:31]=1)=[N+]=[N-].CCN(C(C)C)C(C)C>Cl[Zn]Cl.C(OCCOCCOC... | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=2)=[CH:4][C:3]=1[O:14][CH3:15]>CO.Cl.[Pt]=O>[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][CH2:12][CH2:11][NH:10][CH2:9]2)=[CH:4][C:3]=1[O:14][CH3:15] | 1 |
N([C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12>>N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1 | 5 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[CH:11]=[C:12]4[C:17](=[CH:18][CH:19]=3)[CH:16]([C:20](OCC)=[O:21])[C:15](=O)[CH2:14][CH2:13]4)=[CH:9][C:4]=2[O:3][CH2:2]1.[NH:26]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][N:29]=1)[NH2:27]>>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[CH:19]=[CH:18][C:17]4[C:16]5[C:15]([CH2:14][CH2:13][C:12... | 2 |
FC(S(=O)(=O)OC=1C(=NC=CC1)C(=O)OC)(F)F.FC=1C=C(C=CC1C=O)B(O)O>>FC=1C=C(C=CC1C=O)C=1C(=NC=CC1)C(=O)OC | 5 |
C(N(CC)CC)C.Cl.[NH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21].[C:25]([C:33]1[CH:38]=[C:37]([Cl:39])[CH:36]=[CH:35][C:34]=1[S:40](Cl)(=[O:42])=[O:41])(=[O:32])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1>C(Cl)Cl>[C:25]([C:33]1[CH:38]=[C:37](... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][C:10]2[CH:30]=[CH:29][C:13]([CH2:14][NH:15][C:16]3[CH:28]=[CH:27][C:19]4[O:20][C:21]([CH3:26])([CH3:25])[O:22][C:23](=[O:24])[C:18]=4[CH:17]=3)=[CH:12][CH:11]=2)=[CH:4][CH:3]=1.[CH:31]1([C:37](Cl)=[O:38])[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]... | 1 |
[CH2:1]([CH:4]1[CH2:18][C:8]2[N:9]=[C:10]([NH:12][C:13](=[O:17])OCC)[S:11][C:7]=2[CH:6]([C:19]#[N:20])[CH2:5]1)[CH2:2][CH3:3].[CH2:21]([NH:25][CH2:26][CH:27]=[O:28])[CH2:22][CH:23]=[CH2:24]>>[CH2:21]([N:25]([CH2:26][CH:27]=[O:28])[C:13]([NH:12][C:10]1[S:11][C:7]2[CH:6]([C:19]#[N:20])[CH2:5][CH:4]([CH2:1][CH2:2][CH3:3])... | 1 |
O1C=C(C2=C1C=CC=C2)C(CBr)=O.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)N1C=NC(=C1)C1=C(C=CC=C1)O>>O1C=C(C2=C1C=CC=C2)C(COC2=C(C=CC=C2)C=2N=CN(C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=O | 5 |
[O:1]=[C:2]1[CH:6]=[CH:5][C:4](=[O:7])[N:3]1[CH2:8][CH2:9][C:10]([NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([OH:22])=[O:21])=[O:11].[B-](F)(F)(F)F.CN(C(O[N:36]1[C:41](=[O:42])[CH2:40][CH2:39][C:37]1=[O:38])=[N+](C)C)C.CCN(C(C)C)C(C)C>C1COCC1>[O:38]=[C:37]1[CH2:39][CH2:40][C:41](=[O:42])[N:36]... | 1 |
NC1=C(C=O)C=C(C=C1)Cl>C(Cl)(Cl)(Cl)[H].ClCCl.BrN1C(CCC1=O)=O>NC1=C(C=O)C=C(C=C1Br)Cl | 3 |
[NH:1]1[CH:9]=[C:7]([CH3:8])[C:5](=[O:6])[NH:4][C:2]1=[O:3].C(N(CC)CC)C.FC(F)(F)S(O[Si](C)(C)C)(=O)=O.[Si:29]([O:36][CH2:37][C@@H:38]1[C@@H:45]2[C@@H:41]([O:42][C:43]([CH3:47])([CH3:46])[O:44]2)[CH2:40][S@:39]1=O)([C:32]([CH3:35])([CH3:34])[CH3:33])([CH3:31])[CH3:30]>C1(C)C=CC=CC=1.ClCCl>[Si:29]([O:36][CH2:37][C@@H:38]... | 2 |
CN1CCC(CC1)OCC1=CC(=CC=C1)[N+](=O)[O-]>[Fe].C(C)(=O)O>CC(C=1C=C(C=CC1)N)OC1CCNCC1 | 3 |
Cl[CH:2]([SiH3:4])Cl.[S:5]([C:21]1[CH:26]=[C:25]([C:27]([CH3:30])([CH3:29])[CH3:28])[CH:24]=[C:23]([C:31]([CH3:34])([CH3:33])[CH3:32])[C:22]=1[OH:35])[C:6]1[CH:11]=[C:10]([C:12]([CH3:15])([CH3:14])[CH3:13])[CH:9]=[C:8]([C:16]([CH3:19])([CH3:18])[CH3:17])[C:7]=1[OH:20].C(N(CC)CC)C>>[C:27]([C:25]1[CH:24]=[C:23]([C:31]([C... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=2C(C=3N(C2C=CC1)C=CN3)C#N>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>BrC=1C=2C(=C3N(C2C=CC1)C=CN3C(=O)OC(C)(C)C)C#N | 3 |
[C:1]1(=[O:7])[O:6][C:4](=[O:5])[CH:3]=[CH:2]1.[Br:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[NH:14][N:13]=[C:12]2[NH2:18]>C1(C)C=CC=CC=1>[Br:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[NH:14][N:13]=[C:12]2[NH:18][C:1](=[O:7])[CH:2]=[CH:3][C:4]([OH:6])=[O:5] | 1 |
C(#C)C1=CC=CC=C1>O.CC(=O)C.IN1C(CCC1=O)=O.[N+](=O)([O-])[O-].[Ag+]>IC#CC1=CC=CC=C1 | 3 |
C#C.CN(C1(CCC2(OCCO2)CC1)C#N)C>C1(=CC=CC=C1)C.O.Cl.C1(C=CC=C1)C1=CCCC=CCC1.[Co]>CN(C1(CCC(CC1)=O)C1=NC=CC=C1)C | 3 |
N1CCCCC1.C1C2C([CH2:20][O:21][C:22]([NH:24][C@@H:25]([CH2:29][CH2:30][O:31][CH3:32])[C:26]([OH:28])=[O:27])=[O:23])C3C(=CC=CC=3)C=2C=CC=1.C([O-])([O-])=O.[Na+].[Na+].ClC(OC)=O.Cl>CN(C=O)C>[CH3:32][O:31][CH2:30][CH2:29][C@H:25]([NH:24][C:22]([O:21][CH3:20])=[O:23])[C:26]([OH:28])=[O:27] | 1 |
C(C(=O)OCC)(=O)OCC.NC1=C(C(=O)N)C=CC(=C1)F>C(C)(=O)O>FC1=CC=C2C(=NC(=NC2=C1)C(=O)OCC)O | 3 |
ClC=1C=C(C=CC1OCC1=NC=CC=C1)N.ClC=1C2=C(N=CN1)C=C(N2)C=2OC=CC2>>ClC=1C=C(C=CC1OCC1=NC=CC=C1)NC=1C2=C(N=CN1)C=C(N2)C=2OC=CC2 | 5 |
NC1C2=CC=CC=C2C=2C=CC=CC12.CN(C1(CCC(CC1)=O)C=1SC=CC1)C>>Cl.Cl.C1=CC=CC=2C3=CC=CC=C3C(C12)NC1CCC(CC1)(N(C)C)C=1SC=CC1 | 5 |
C(CC(C)C)OC1=CC=C(C=C1)C(C(=O)OC(C)(C)C)CC(=O)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC(CC(C(=O)O)C1=CC=C(C=C1)OCCC(C)C)=O | 5 |
N1(N=NC2=C1C=CC=C2)C=O.FC(C(=O)O)(F)F.N1(CCOCC1)C1=C2N=C(N(C2=NC(=N1)C=1C=NC(=NC1)N)CC(F)(F)F)N1CCNCC1>C1CCCO1>NC1=NC=C(C=N1)C1=NC(=C2N=C(N(C2=N1)CC(F)(F)F)N1CCN(CC1)C=O)N1CCOCC1 | 3 |
O(C1=CC=CC=C1)C(=O)C=1N=CNC1C(=O)N[C@@H]1CC[C@H](CC1)C(=O)O.ClC1=C(NC)C=CC(=C1)F>O.ClCCl.c1ccncc1.ClC(=C(C)C)N(C)C>ClC1=C(C=CC(=C1)F)N(C(=O)[C@@H]1CC[C@H](CC1)NC(=O)C1=C(N=CN1)C(=O)OC1=CC=CC=C1)C | 3 |
C(C)(C)(C)[Si](C)(C)Cl.C1(C=CCCC1)O>>C(C)(C)(C)[Si](C)(C)OC1C=CCCC1 | 5 |
[CH3:1][O:2][C:3](=[O:18])[C:4]1[CH:9]=[CH:8][C:7]([CH:10]=[C:11]2[S:15][C:14](=[O:16])[NH:13][C:12]2=[O:17])=[CH:6][CH:5]=1>CO.[Pd]>[CH3:1][O:2][C:3](=[O:18])[C:4]1[CH:5]=[CH:6][C:7]([CH2:10][CH:11]2[S:15][C:14](=[O:16])[NH:13][C:12]2=[O:17])=[CH:8][CH:9]=1 | 1 |
C(C)(C)C=1N=C(SC1)C(=O)O.O1CCNCC12CCN(CC2)C(=O)OC(C)(C)C>>C(C)(C)C=1N=C(SC1)C(=O)N1CCOC2(C1)CCN(CC2)C(=O)OC(C)(C)C | 5 |
[C:1]([C:9]#[N:10])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:11](O)([CH3:14])([CH3:13])[CH3:12].S(=O)(=O)(O)[OH:17]>C(Cl)Cl>[C:11]([NH:10][C:9](=[O:17])[C:1]([C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)=[O:8])([CH3:14])([CH3:13])[CH3:12] | 1 |
CCOCC.[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][C@H:11]([OH:30])/[CH:12]=[CH:13]/[C@@H:14]1[C@@H:18]([CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][C:25]([OH:27])=[O:26])[C@@H:17]([OH:28])[CH2:16][C@H:15]1[OH:29].[H][H]>[Pd].C(OCC)(=O)C>[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][C@H:11]([OH:30])/[CH:12]=[CH:13]/[C@@H:14]1[C@@H... | 1 |
[CH:1]1[C:6]([C:7](O)=O)=[CH:5][CH:4]=[C:3](N)[CH:2]=1.[N:11]1([CH2:17][CH2:18][CH2:19][O:20]C2C=CC(C=O)=CC=2)[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1.[N:29]1([CH2:34][CH2:35][CH2:36][O:37]C2C=CC(C=O)=CC=2)[CH2:33][CH2:32][CH2:31]C1.C1([N:51]2[CH2:56]CC(OC3C=CC(C=O)=CC=3)CC2)CCCC1.C1([N:70]2CCC(OC3C=CC(C=O)=CC=3)CC2)C... | 1 |
C1(CC1)B(O)O.CSC=1SC2=C(N1)NC(=C2)C(=O)OCC>C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].C([O-])([O-])=O.[Na+].[Na+].N1=C(C=CC=C1)C1=NC=CC=C1.ClCCCl>C1(CC1)N1C(=CC2=C1N=C(S2)SC)C(=O)OCC | 3 |
[I:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([NH:11]C(=O)OC(C)(C)C)[CH:9]=2)[NH:4][N:3]=1.[C:19]([OH:25])([C:21]([F:24])([F:23])[F:22])=[O:20]>C(Cl)Cl>[F:22][C:21]([F:24])([F:23])[C:19]([OH:25])=[O:20].[I:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([NH2:11])[CH:9]=2)[NH:4][N:3]=1 | 2 |
C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[C:11]([C:14]1[CH:15]=[C:16]([CH:21]=[C:22]([Br:25])[C:23]=1[OH:24])[C:17]([O:19][CH3:20])=[O:18])(=[O:13])[CH3:12].[N:26]1([C:32](Cl)=[O:33])[CH2:31][CH2:30][O:29][CH2:28][CH2:27]1.C(Cl)Cl>C1COCC1.O>[Br:25][C:22]1[CH:21]=[C:16]([CH:15]=[C:14]([C:11](=[O:13])[CH2:12][C:32]([N:26]2[CH2:3... | 2 |
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