smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:17](=[O:18])[C:16]3[C:11](=[CH:12][C:13]([N+:19]([O-])=O)=[CH:14][CH:15]=3)[N:10]=[C:9]2[CH:22]([CH3:24])[CH3:23])=[CH:4][CH:3]=1>[Fe].C(O)(=O)C>[NH2:19][C:13]1[CH:12]=[C:11]2[C:16]([C:17](=[O:18])[N:8]([C:5]3[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=3)[C:9]([CH:22]([CH3:24])[CH3:2... | 2 |
C(C)OC=1C=C(C=CC1OC)C1CC(CCC1NC(=O)C1=CC=C(C=C1)C#N)OC(C)=O>CCO[H].[OH-].[Na+].Cl.NO>C(C)OC=1C=C(C=CC1OC)C1CC(CCC1NC(=O)C1=CC=C(C=C1)C(NO)=N)OC(C)=O | 3 |
[CH:1]1([CH2:7][CH2:8][CH2:9][C:10]2[CH:11]=[C:12]([CH:16]=[CH:17][CH:18]=2)[C:13]([OH:15])=O)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.Cl.Cl.[N:21]1[CH:26]=[CH:25][CH:24]=[C:23]([NH:27][C:28]([N:30]2[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)=[O:29])[CH:22]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>CN(C=O)C.O>[CH:1]1([CH2:7][CH... | 2 |
[F:1][C:2]1[C:7]([S:8]([C:11]([F:14])([F:13])[F:12])(=[O:10])=[O:9])=[CH:6][CH:5]=[CH:4][C:3]=1[CH:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:28][CH2:29][O:30][CH3:31]>C(#N)C>[F:1][C:2]1[C:7]([S:8]([C:11]([F:14])([F:13])[F:12])(=[O:9])=[O:10])=[CH:6][CH:5]=[CH:4][C:3]=1[CH:15]1[CH2:20... | 1 |
[Br:1]C1CC2C(=CC=CC=2F)C1=O.[Cl:13][C:14]1[CH:15]=[C:16]2[C:20](=[CH:21][C:22]=1[Cl:23])[C:19](=[O:24])[CH2:18][CH2:17]2>[Cu](Br)Br.O1CCOCC1>[Br:1][CH:18]1[CH2:17][C:16]2[C:20](=[CH:21][C:22]([Cl:23])=[C:14]([Cl:13])[CH:15]=2)[C:19]1=[O:24] | 1 |
OC1(CN(C1)C(=O)OC(C)(C)C)C(C)O>CO[H].Cl.O1CCOCC1>Cl.OC(C)C1(CNC1)O | 3 |
C(C)(C)(C)OC(NC1C2CN(CC12)C(C1=CC=C(C=C1)NC1=NC(=NC(=N1)NCC1=CC=C(C=C1)OC[C@H](CBr)C)OCC(F)(F)F)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1C2CN(CC12)C(=O)C1=CC=C(C=C1)NC1=NC(=NC(=N1)NCC1=CC=C(C=C1)OC[C@H](CBr)C)OCC(F)(F)F | 3 |
Cl[C:2]1[N:3]=[N+:4]([O-:13])[C:5]2[CH:11]=[C:10]([OH:12])[CH:9]=[CH:8][C:6]=2[N:7]=1.C[O:15][C:16]([C:18]1[CH:23]=[CH:22][C:21](B(O)O)=[CH:20][CH:19]=1)=[O:17].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=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC... | 1 |
Cl.CON.FC(C1=C(COC2=C(C=C(C=C2)\C=C\2/NC(N(C2=N)CC)=O)OC)C=CC(=C1)C(F)(F)F)(F)F>CO[H]>CO\N=C/1\N(C(N\C1=C/C1=CC(=C(C=C1)OCC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)OC)=O)CC | 3 |
CN1N=CC(=C1)C1(CC1)N.ClC1=C(C(=O)O)C=C(C=C1)N(C)C1=NOC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl>C1(=CC=NC=C1)N(C)C.ClCCl.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC1=C(C(=O)NC2(CC2)C=2C=NN(C2)C)C=C(C=C1)N(C)C1=NOC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl | 3 |
FC(C(=O)[O-])(F)F.C(C)(C)(C)C1C=2N(C3=C(C[NH+]1C1(CC1)C)C=C(C=C3)Cl)C(=NN2)C2CC3(C[NH2+]C3)C2.FC(C(=O)[O-])(F)F>C1(=CC=CC=C1)C.ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)[O-])(F)F.ClC=1C=CC2=C([CH+][NH+](CC=3N2C(=NN3)C3CC2(C[NH2+]C2)C3)C3(CC3)C)C1.FC(C(=O)[O-])(F)F.FC(C(=O)[O-])(F)F | 3 |
CC1=C(N=C(O1)C1=CC(=CC=C1)C)CCOC1=CC=C(C=C1)/C=C/CO>ClCCl.[O-2].[O-2].[Mn+4]>CC1=C(N=C(O1)C1=CC(=CC=C1)C)CCOC1=CC=C(/C=C/C=O)C=C1 | 3 |
[C:1]1([CH3:19])[CH:6]=[CH:5][C:4]([CH:7]2[O:11][CH:10]([CH:12]([CH3:16])C(O)=O)[C:9](=[C:17]=[CH2:18])[CH2:8]2)=[CH:3][CH:2]=1.[C:20]([O-:23])([O-])=[O:21].[K+].[K+].[C:26]1(I)[CH:31]=[CH:30]C=[CH:28][CH:27]=1.O.[CH3:34]N(C)C=O>C(OCC)(=O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=... | 1 |
[H-].[Na+].[C:3]([O:7][C:8](=[O:15])[NH:9][C@H:10]1[CH2:13][C@H:12]([OH:14])[CH2:11]1)([CH3:6])([CH3:5])[CH3:4].Cl[C:17]1[N:21]([CH3:22])[C:20]2[CH:23]=[CH:24][CH:25]=[CH:26][C:19]=2[N:18]=1>CN(C=O)C.O>[C:3]([O:7][C:8](=[O:15])[NH:9][C@H:10]1[CH2:13][C@H:12]([O:14][C:17]2[N:21]([CH3:22])[C:20]3[CH:23]=[CH:24][CH:25]=[C... | 1 |
[F:1][C:2]1[CH:19]=[CH:18][C:17]([F:20])=[CH:16][C:3]=1[CH2:4][N:5]1[CH2:10][CH2:9][NH:8][C:7]2[N:11]=[CH:12][C:13](I)=[CH:14][C:6]1=2.[CH2:21]([O:23][C:24]([C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1)=[O:25])[CH3:22]>>[CH2:21]([O:23][C:24](=[O:25])[C:26]1[CH:31]=[CH:30][C:29]([C:13]2[CH:12]=[N:11][C:7]3[NH:8]... | 1 |
[CH3:1][CH:2]([CH3:30])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([CH:12]2[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][CH2:20][CH2:21][C:22](=O)[C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[CH2:14][CH2:13]2)[CH:7]=1)=[O:4].[CH3:31][N:32]([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)N>>[CH3:1][CH:2]([CH3:30])[C:3]([NH... | 1 |
N1(CCCCC1)C(=O)C1=NC=C(C(=O)OC)C=C1>O.CO[H].Cl.[OH-].[Na+]>N1(CCCCC1)C(=O)C1=NC=C(C(=O)O)C=C1 | 3 |
C[S-].[Na+].FC1=C(C#N)C=C(C=C1)C(F)(F)F>>CSC1=C(C#N)C=C(C=C1)C(F)(F)F | 5 |
Cl.[CH3:2][O:3][C@@H:4]1[CH2:8][CH2:7][N:6]([C@@H:9]([CH3:31])[CH2:10][O:11]C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[CH2:5]1>C(Cl)Cl>[CH3:2][O:3][C@@H:4]1[CH2:8][CH2:7][N:6]([C@@H:9]([CH3:31])[CH2:10][OH:11])[CH2:5]1 | 1 |
C1NC(CC=2C3=CC=CC=C3NC12)C(=O)OCC>>C1=NC=CC=2C3=CC=CC=C3NC12 | 5 |
[H-].[Na+].[Cl-].[C:4]([CH2:7][CH2:8][CH2:9][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)([OH:6])=[O:5].[N:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1[CH:35]=O.Cl>CS(C)=O.O>[N:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1/[CH:35]=[CH:9]/[CH2:8][CH2:7][C:4]([OH:6])=[O:5] | 1 |
CI.C(C)OC(CCCC(C(C)=O)C(C)=O)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C)OC(CCCC(C(C)=O)(C)C(C)=O)=O | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@H](C1(CC1)OC1OCCCC1)NC1COCC1>N(C)(C)C=O.[F-].[Cs+]>O1C(CCCC1)OC1(CC1)[C@@H](CO)NC1COCC1 | 3 |
ClC=1C=CC(=NC1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C(C1=CC=CC=C1)OC(=O)C1(COCCC1)C(C)O>C1CCCO1.[H-].[Na+]>C(C1=CC=CC=C1)OC(=O)C1(COCCC1)C(C)OS(=O)(=O)C(F)(F)F | 3 |
C1(=CC=CC=C1)S(=O)(=O)Cl.FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=CN1)C)=O>[H-].[Na+].[Cl-].[NH4+]>FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=CN1S(=O)(=O)C1=CC=CC=C1)C)=O | 3 |
C1(CC1)NC(=O)C=1N=NN(C1CCCO)C1=CC=C(C=C1)C(=O)NCC>>C1(CC1)NC(=O)C=1N=NN(C1CCCF)C1=CC=C(C=C1)C(=O)NCC | 5 |
NC[C@@H]1CC[C@H](CC1)C(=O)O.C(C)(=O)OC(C(C)C)OC(=O)ON1C(CCC1=O)=O>CC(C)(C)OC.CC(=O)C.O>C(C)(=O)OC(C(C)C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O | 3 |
C1(CC1)NC(=O)CSC(C)=O.ClC1=C(C#N)C(=C(C(=N1)SC)Cl)C>CO[H].C(C)(=O)OCC.C[O-].[Na+].CCCCCC>C1(CC1)NC(=O)C1=C(C=2C(=NC(=C(C2C)Cl)OCCO)S1)N | 3 |
C(C1=CC=CC=C1)NC[C@H](C)N>C(Cl)(Cl)(Cl)[H].ClCCl.[OH-].[Na+].CC(=O)C.[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>C(C1=CC=CC=C1)N1C(C(NC[C@@H]1C)(C)C)=O | 3 |
N1=CC=C(C=C1)C=O.FC=1C=C2C=CNC2=CC1>CO[H].[OH-].[Na+]>FC=1C=C2C(=CNC2=CC1)C(O)C1=CC=NC=C1 | 3 |
C(#N)C(C)(C)C=1C=C(C(=O)NC2=CC(=C(C=C2)C(F)(F)F)OC2=NC=C(C=C2)[N+](=O)[O-])C=CC1>>NC=1C=CC(=NC1)OC=1C=C(C=CC1C(F)(F)F)NC(C1=CC(=CC=C1)C(C)(C)C#N)=O | 5 |
C(C1=CC=CC=C1)(=O)OCCS(=O)(=O)CCCOCCC1=CC=CC=C1.Cl.NCCC1=CC=C(C=2NC(SC21)=O)O>>Cl.OC1=CC=C(C2=C1NC(S2)=O)CCNCCS(=O)(=O)CCCOCCC2=CC=CC=C2 | 5 |
[CH3:1][C:2]1[CH:11]=[C:10]([Sn](CCCC)(CCCC)CCCC)[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[I:25]I>C(Cl)(Cl)Cl>[I:25][C:10]1[CH:9]=[CH:8][C:3]([C:4]([O:6][CH3:7])=[O:5])=[C:2]([CH3:1])[CH:11]=1 | 2 |
Br[C:2]1C=CC(C(F)(F)F)=CC=1.[CH2:12]([O:14][C:15]([CH:17]1[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1)=[O:16])[CH3:13].C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)[C:31]=2[C:40]2[C:49]3[C:44](=[CH:45][CH:46]=[CH:47][CH:48]=3)C=C[C:41]=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C(OCC)(=O)C.C1C=CC(/C=C/C(... | 1 |
[Br:1][C:2]1[N:3]=[C:4]([C:15]([O:17]CC)=O)[N:5]([NH:7][C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH:6]=1.CC(C)([O-])C.[K+].[C:26]([O:29][CH2:30][CH3:31])(=[O:28])[CH3:27]>C1COCC1>[Br:1][C:2]1[N:3]=[C:4]([C:15](=[O:17])[CH2:27][C:26]([O:29][CH2:30][CH3:31])=[O:28])[N:5]([NH:7][C:8]([O:10][C:11]([CH3:12])([C... | 1 |
[Li].[CH2:2](Cl)[C:3]([CH3:6])([CH3:5])[CH3:4].[F:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11](F)[C:10]=1[C:16]1[O:17][CH2:18][C:19](C)(C)[N:20]=1.C([O-])(O)=O.[Na+]>C1COCC1>[CH3:4][C:3]([CH3:6])([CH3:5])[CH2:2][C:11]1[CH:12]=[CH:13][CH:14]=[C:9]([F:8])[C:10]=1[C:16]([NH:20][CH2:19][CH3:18])=[O:17] | 1 |
NC1=C(C(=O)O)C=CC(=C1)F.Cl.N[C@H](C(=O)OC)CCNC(=O)OC(C)(C)C>>NC1=C(C=CC(=C1)F)C(=O)N[C@H](C(=O)OC)CCNC(=O)OC(C)(C)C | 5 |
Cl[C:2]1[N:3]=[C:4]2[C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=3[NH:8][C:7]3[N:15]=[CH:16][CH:17]=[CH:18][C:6]=3[N:5]2[C:19]=1[C:20]1[CH:25]=[CH:24][C:23]([C:26]2([NH:30][C:31](=[O:37])[O:32][C:33]([CH3:36])([CH3:35])[CH3:34])[CH2:29][CH2:28][CH2:27]2)=[CH:22][CH:21]=1.[CH3:38][O:39][C:40]([C:42]1[CH:47]=[CH:46][C:45](... | 1 |
N1=CC=NC2=CC(=CC=C12)C(=O)Cl.BrC1=C(C(=O)NC=2C=C3C(=NC2)NC(=C3)CO)C=CC=C1>ClCCl.CCN(CC)CC>N1=CC=NC2=CC(=CC=C12)C(=O)OCC1=CC=2C(=NC=C(C2)NC(C2=C(C=CC=C2)Br)=O)N1 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[CH:9])=[CH:4][CH:3]=1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[Cl:20][C:21]1[CH:22]=[C:23]([CH:30]=[C:31]([Cl:33])[CH:32]=1)[C:24](N(OC)C)=[O:25]>C1COCC1>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][C:24]([C:23]2[CH:22]=[C:21]([Cl:20])[CH:32]=[C:31]([Cl:33])[CH:30]=2)=[O:25])=[CH:4][CH:3]=1 | 1 |
C(C)(C)(C)[SiH](C)C.BrC1=CC(=C(CO[Si](C)(C)C(C)(C)C)C=C1F)Cl>CO[H].[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.O1CCOCC1.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1>[Si](C)(C)(C(C)(C)C)OCC1=CC(=C(C(=O)OC)C=C1Cl)F | 3 |
[CH3:1][NH:2][S:3](Cl)(=[O:5])=[O:4].C(N(CC)CC)C.[NH2:14][C:15]1[CH:20]=[CH:19][C:18]([C:21](=[O:23])[CH3:22])=[CH:17][CH:16]=1.Cl.C(N(CC)CC)C>CCOCC>[C:21]([C:18]1[CH:19]=[CH:20][C:15]([NH:14][S:3]([NH:2][CH3:1])(=[O:5])=[O:4])=[CH:16][CH:17]=1)(=[O:23])[CH3:22] | 1 |
FC(F)(F)C(O)=O.C([SiH](CC)CC)C.[CH3:15][O:16][C:17]([C:19]1[CH:20]=[C:21]2[C:25](=[CH:26][CH:27]=1)[NH:24][C:23]([CH3:28])=[CH:22]2)=[O:18].[Cl:29][C:30]1[CH:37]=[C:36]([O:38][CH2:39][CH3:40])[CH:35]=[CH:34][C:31]=1[CH:32]=O>ClCCl.O1CCCC1.CCCCCC.C(Cl)(Cl)Cl>[Cl:29][C:30]1[CH:37]=[C:36]([O:38][CH2:39][CH3:40])[CH:35]=[C... | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=C2CC(C(NC2=CC=C1)=O)C#N>CO[H].[Na+].[BH4-].O.O.O.O.O.O.[Ni](Cl)Cl>COC1=C2CC(C(NC2=CC=C1)=O)CNC(OC(C)(C)C)=O | 3 |
Cl[C:2]1[N:7]=[CH:6][C:5]2[O:8][C:9]3[C:14]([C@@:15]4([CH2:19][O:18][C:17]([NH2:20])=[N:16]4)[C:4]=2[CH:3]=1)=[CH:13][C:12]([C:21]1[C:22]([F:27])=[N:23][CH:24]=[CH:25][CH:26]=1)=[CH:11][CH:10]=3.P([O-])([O-])([O-])=O.[K+].[K+].[K+].[O:36]1[CH2:41][CH:40]=[C:39](B2OC(C)(C)C(C)(C)O2)[CH2:38][CH2:37]1>O1CCOCC1.O.CCOC(C)=O... | 1 |
Cl.[CH2:2]1[C:5]2([CH2:8][CH:7]([NH:9][C:10]3[C:15]([C:16]4[CH:21]=[CH:20][C:19]([O:22][C:23]5[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=5)=[CH:18][CH:17]=4)=[C:14]([NH2:29])[N:13]=[CH:12][N:11]=3)[CH2:6]2)[CH2:4][NH:3]1.CCN(C(C)C)C(C)C.[C:39](O)(=[O:42])[C:40]#[CH:41].C(P1(=O)OP(=O)(CCC)OP(=O)(CCC)O1)CC>C(Cl)Cl>[NH2:29][C:... | 1 |
[C:1]([C:3]([C:14](=[O:30])[N:15]([CH2:26][CH2:27][CH2:28][CH3:29])[C:16]1[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:24])[F:23])[CH:17]=1)=[CH:4][NH:5][C:6](=[NH:13])[N:7]1[CH2:11][CH2:10][NH:9][C:8]1=[O:12])#[N:2].[C:31](O)(=O)[C:32](O)=O.[C:37](O)(=O)CC>>[CH2:26]([N:15]([C:16]1[CH:21]=[CH:20][CH:19]=[C:18]([C:22... | 1 |
C(C)(C)N(C(OCCC1=C(C=CC=C1)F)=O)C(C)C>>C(C)(C)N(C(OC(CC1=C(C=CC=C1)F)C)=O)C(C)C | 5 |
[CH3:1][O:2][C:3](=[O:30])[CH2:4][O:5][C:6]1[C:7]2[CH:16]=[C:15]([CH2:17][CH3:18])[N:14]([CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:29])([F:28])[F:27])[CH:21]=3)[C:8]=2[N:9]=[C:10]([S:12][CH3:13])[N:11]=1.[C:31](Cl)(=[O:35])[C:32](Cl)=[O:33].[N:37]1C=CC=CC=1>C(Cl)(Cl)Cl>[CH3:1][O:2][C:3](=[O:30])[CH2:4][O:5... | 1 |
CN1N=CC=C1B(O)O.ClC1=C2C(=C(N=N1)N1CCC(CC1)N(C(OC(C)(C)C)=O)C)C=NC=C2>C1(=CC=CC=C1)C.O.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CN(C(OC(C)(C)C)=O)C1CCN(CC1)C=1N=NC(=C2C1C=NC=C2)C=2N(N=CC2)C | 3 |
O1C(CCCC1)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.ClC1=CC(=C2C(=CNC2=C1Cl)I)O[C@@H]1C[C@@H](C1)F>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>ClC1=CC(=C2C(=CNC2=C1Cl)C=1C=NN(C1)C1OCCCC1)O[C@@H]1C[C@@H](C1)F | 3 |
C(C1=CC=CC=C1)N1N=CC2=C1N=C(C=C2C(=O)OCC)Cl>C1CCCO1.[OH-].[Na+].C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)N1N=CC2=C1N=C(C=C2C(=O)O)Cl | 3 |
[C-]#N.[Na+].[I-].FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)O[C@H]1CN(C[C@@H]1C1=CC=C(C=C1)F)C1=C(C(CC1)=O)C[N+](C)(C)C)(F)F>CCO[H]>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)O[C@H]1CN(C[C@@H]1C1=CC=C(C=C1)F)C1=C(C(CC1)=O)CC#N)(F)F | 3 |
[C@@H:1]1([N:9]2[C:18]3[N:17]=[CH:16][N:15]=[C:13]([NH2:14])[C:12]=3[N:11]=[CH:10]2)[O:8][C@H:5]([CH2:6][OH:7])[C@@H:3]([OH:4])[CH2:2]1.[Br:19]Br.S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+].[OH-].[Na+]>C([O-])(=O)C.[Na+]>[Br:19][C:10]1[N:9]([C:18]2[N:17]=[CH:16][N:15]=[C:13]([NH2:14])[C:12]=2[N:11]=1)[C@@H:1]1[O:8][C@H:5]([CH... | 1 |
[CH3:1][C@H:2]1[C:13](=[O:14])[O:12][CH2:11][C@@H:10]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[NH:9][C:8](=[O:21])[C@H:7]([NH:22]C(=O)OCC2C3C=CC=CC=3C3C2=CC=CC=3)[CH2:6][CH:5]=[CH:4][CH2:3]1.N1CCCCC1>CN(C=O)C>[NH2:22][C@@H:7]1[CH2:6][CH:5]=[CH:4][CH2:3][C@@H:2]([CH3:1])[C:13](=[O:14])[O:12][CH2:11][C@@H:10]([C:1... | 2 |
[CH:1]1([C:4]2[N:8]([CH3:9])[C:7]3[CH:10]=[C:11]([N:14]4[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][C:15]4=[O:21])[CH:12]=[CH:13][C:6]=3[N:5]=2)[CH2:3][CH2:2]1.[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([CH2:29]O)=[CH:25][C:24]=1[F:31].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>C1COCC1>[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([C... | 1 |
COC([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=C1)C(C)C)=O)CC1=CC=C(C=C1)NC(=O)C1=CC=CC=C1)=O>O.O1CCOCC1.O[Li].O>C(C1=CC=CC=C1)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)C1=CC=CC=C1)C(=O)O | 3 |
[OH:1][C:2]1[CH:3]=[N:4][C:5]([CH3:8])=[CH:6][CH:7]=1.[Br:9]Br>Br.C(O)(=O)C>[Br:9][C:3]1[C:2]([OH:1])=[CH:7][CH:6]=[C:5]([CH3:8])[N:4]=1 | 1 |
N(OCCCCC)=O.[C:9]([C@@:12]1([OH:37])[C@:16]([C:18](=[O:20])[CH3:19])([OH:17])[C@@H:15]([CH2:21][O:22][C:23](=[O:25])[CH3:24])[O:14][C@H:13]1[N:26]1[CH:34]=[N:33][C:32]2[C:27]1=[N:28][C:29](N)=[N:30][C:31]=2[Cl:35])(=[O:11])[CH3:10].C1(C([Cl:57])(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(=O)([O-])[O-].[K+].[K+]>C(Cl)Cl>[C:9](... | 1 |
C(C)(=O)C=1C(=C(C(=O)NC2=NN=NN2)C=CC1)O>O.S(O)(O)(=O)=O.[N+](=O)(O)[O-]>C(C1=CC=CC=C1)(=O)N | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC(C(CC)(CC)OC1=C(C=C(C=C1)Cl)\C=C\1/C(NC2=CC(=CC=C12)Cl)=O)=O>>C(C)(C)(C)OC(=O)N1C(\C(\C2=CC=C(C=C12)Cl)=C/C1=C(C=CC(=C1)Cl)OC(CC)(C(=O)OC)CC)=O | 5 |
CC1=C(C=CC=C1)C(=O)C1=CC(=CC=C1)Cl>>ClC=1C=C(C=CC1)C(O)C1=CC=CC=C1 | 5 |
IC1=NC(=CC=C1O)C.CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>CC1=CC=C(C(=N1)C=1C=NN(C1)C)O | 3 |
ClC1=C(C=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(F)(F)F>O.[Fe].CCO[H].Cl>ClC1=C(C=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1)C(F)(F)F | 3 |
FC(S(=O)(=O)N1CCNCC1)(F)F.IC1=NN(C2=CC=C(C=C12)C(=O)OC)COCC[Si](C)(C)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)OCC.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>FC(S(=O)(=O)N1CCN(CC1)C1=NN(C2=CC=C(C=C12)C(=O)OC)COCC[Si](C)(C)C)(F)F | 3 |
OC=1C(=CN(C(C1)=O)CC1=CC=CC=C1)C(=O)O.OC=1C(=CN(C(C1)=O)CC1=CC=CC=C1)C(=O)NC(C)C>N(C)(C)C=O.ClCCl.C(C)(C)N.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>OC1=C(C(N(C=C1C(=O)NC(C)C)CC1=CC=CC=C1)=O)C(=O)NCC(=O)O | 3 |
Br[C:2]1[N:7]=[C:6]([NH:8][C:9]([C:11]2([C:14]3[CH:24]=[CH:23][C:17]4[O:18][C:19]([F:22])([F:21])[O:20][C:16]=4[CH:15]=3)[CH2:13][CH2:12]2)=[O:10])[CH:5]=[CH:4][CH:3]=1.[CH3:25][O:26][C:27]1[C:32](B(O)O)=[CH:31][CH:30]=[CH:29][N:28]=1.C(=O)([O-])[O-].[Na+].[Na+]>CN(C)C=O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P... | 1 |
[CH2:1]([O:3][C:4](=[O:14])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([OH:12])=[C:8]([Br:13])[CH:7]=1)[CH3:2].C(=O)([O-])[O-].[Cs+].[Cs+].[CH2:21](Br)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>CC#N>[CH2:1]([O:3][C:4](=[O:14])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[C:8... | 1 |
[O:1]=[C:2]1[NH:7][CH:6]=[C:5]([C:8]2[CH:13]=[CH:12][N:11]3[C:14]([C:17]4[CH:18]=[C:19]([NH:23][C:24]([NH:26][CH2:27][C:28]([F:31])([F:30])[F:29])=[O:25])[CH:20]=[CH:21][CH:22]=4)=[CH:15][N:16]=[C:10]3[CH:9]=2)[CH:4]=[CH:3]1.Cl.[Cl:33][CH2:34][CH2:35][CH2:36][N:37]1[CH2:42][CH2:41][CH2:40][CH2:39][CH2:38]1.C([O-])([O-]... | 1 |
C(C)(C)(C)OC(=O)C[C@@H]1CC[C@H](CC1)C1=CC=C(C(=O)O)C=C1>>ClC(=O)C1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)CC(=O)OC(C)(C)C | 5 |
COC1=CC=C(C=C1)CNC.ClC1=NC=CC(=C1)OC1=CC=C2CCC(CC2=C1)C(=O)O>CN1C(CCC1)=O>COC1=CC=C(CN(C2=NC=CC(=C2)OC2=CC=C3CCC(CC3=C2)C(=O)O)C)C=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:35]=[CH:36][C:37]=1[F:38])[CH2:5][N:6]1[CH2:15][CH2:14][C:13]2[C:8](=[C:9]([O:32]C)[C:10](=[O:31])[N:11]3[CH2:21][CH2:20][CH2:19][CH2:18][N:17]([CH2:22][C:23]([O:25]C(C)(C)C)=[O:24])[C:16](=[O:30])[C:12]3=2)[C:7]1=[O:34].Br>C(O)(=O)C.O1CCOCC1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:35]=[CH:36][C:37]=1... | 1 |
FC(S(=O)(=O)OC1=NN(C(=C1)C1=CC=C(C=C1)Cl)C1=C(C=CC=C1)OC)(F)F>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+]>ClC1=CC=C(C=C1)C1=CC(=NN1C1=C(C=CC=C1)OC)B1OC(C(O1)(C)C)(C)C | 3 |
[NH2:1][C:2]1[C:11]2[N:10]=[CH:9][C:8]([CH2:12][CH2:13][C:14]3[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][C:22](OC)=[O:23])=[CH:16][CH:15]=3)=[CH:7][C:6]=2[C:5]2[CH:26]=[CH:27][C:28]([CH3:30])=[CH:29][C:4]=2[N:3]=1.C(O)(C(F)(F)F)=O>>[NH2:1][C:2]1[C:11]2[N:10]=[CH:9][C:8]([CH2:12][CH2:13][C:14]3[CH:15]=[CH:16][C:17]([CH2:20]... | 1 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.C(C)(C)(C)OC(/C(/CCO)=C/C1=CC(=C(C=C1)N1C=NC(=C1)C)OC)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C)(C)(C)OC(/C(/CCN1C(C2=CC=CC=C2C1=O)=O)=C/C1=CC(=C(C=C1)N1C=NC(=C1)C)OC)=O | 3 |
NO.FC=1C=C(CN2C(C3(CC2)CC=2C=CC=C(C2C3)C(=O)OC)=O)C=CC1C(F)(F)F>C1CCCO1.CO[H].[OH-].[Na+]>FC=1C=C(CN2C(C3(CC2)CC=2C=CC=C(C2C3)C(=O)NO)=O)C=CC1C(F)(F)F | 3 |
[Cl-].[Ba+2].[Cl-].[C:4]([OH:7])(=[O:6])[CH3:5].C=[CH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.N#N.O=O.[C]=O.[CH3:22]O>[Pd]>[C:4]([O:7][CH3:22])(=[O:6])[CH:5]=[CH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 1 |
FF>>C1(=CC=CC=2C3=CC=CC=C3CC12)CO | 5 |
NC[C@@H](CO)O.ClC1=CC=C(C=C1)C=1C=C(C(N(N1)C=1C=NN(C1)C)=O)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC1=CC=C(C=C1)C=1C=C(C(N(N1)C=1C=NN(C1)C)=O)C(=O)NC[C@@H](CO)O | 3 |
[Br:1]Br.[C:3]1([NH:19][C:20]2[CH:28]=[CH:27][CH:26]=[CH:25][C:21]=2[C:22]([OH:24])=[O:23])[C:16]2[C:15](=[O:17])[C:14]3[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=3)[C:8](=[O:18])[C:7]=2[CH:6]=[CH:5][CH:4]=1.S(=O)(=O)(O)O>>[Br:1][C:26]1[CH:27]=[CH:28][C:20]([NH:19][C:3]2[C:16]3[C:15](=[O:17])[C:14]4[C:9](=[CH:10][CH:11]=[CH:... | 1 |
P(C)(C)C.[N:5]([CH2:8][C:9]1[N:10]=[N:11][C:12]([Cl:15])=[CH:13][CH:14]=1)=[N+]=[N-].[C:16]([O:19][C@@H:20]1[C@@H:25]([CH3:26])[CH2:24][C@@H:23]([C:27]2[CH:32]=[CH:31][N:30]=[CH:29][C:28]=2[N:33]=[C:34]=S)[CH2:22][C@H:21]1[NH:36][C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])(=[O:18])[CH3:17]>C1COCC1.CCOC(C)=O... | 2 |
OC1=NN(C=C1CC(=O)OC)C.ClCC1=CC(=NO1)OCC1=NC2=CC=CC=C2C=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CN1N=C(C(=C1)CC(=O)OC)OCC1=CC(=NO1)OCC1=NC2=CC=CC=C2C=C1 | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCC2(CC(C2)=O)CC1>C1CCCO1.[H-].[Na+].[Cl-].[NH4+].COP(=O)(OC)CC(=O)OC>COC(C=C1CC2(C1)CCN(CC2)C(=O)OCC2=CC=CC=C2)=O | 3 |
ClC1=NC(=CC=C1[N+](=O)[O-])OC.NC1=CC=C(CO)C=C1>CS(=O)C.C(C)(C)N(C(C)C)CC>COC1=CC=C(C(=N1)NC1=CC=C(C=C1)CO)[N+](=O)[O-] | 3 |
FC(C1=CC=C(C=C1)C1=CC(=NO1)C=1C=C(C(=O)OC)C=CC1)(F)F>C1CCCO1.CO[H].[OH-].[Na+]>FC(C1=CC=C(C=C1)C1=CC(=NO1)C=1C=C(C(=O)O)C=CC1)(F)F | 3 |
BrC1=CC=C(N)C=C1.C(C=1C(=CC=CC1)OC)=O.CC(C(CC(C(=O)OC)=O)=O)(COC1OCCCC1)C>>BrC1=CC=C(C=C1)N1C(C(=C(C1C1=C(C=CC=C1)OC)C(C(COC1OCCCC1)(C)C)=O)O)=O | 5 |
C(C(C)(C)C)(=O)Cl.COC1=C(C=C(C=C1)[N+](=O)[O-])O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>CC(C(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])OC)(C)C | 3 |
C(C)(C)(C)C1=CC(=C(C=C1)O)OC>>BrC=1C(=CC(=C(C1)O)OC)C(C)(C)C | 5 |
[Si](C)(C)(C(C)(C)C)OC1OCC2=C(C(=CC=C12)C(C(C)(C)N1CCC2(CCN(C2=O)C=2COC(C2C)=O)CC1)O)C>>OC(C(C)(C)N1CCC2(CCN(C2=O)C=2COC(C2C)=O)CC1)C=1C(=C2COC(C2=CC1)O)C | 5 |
OC1=C(C=C(C=C1)[N+](=O)[O-])C(C)=O>CO[H].N>N=C(C)C1=C(C=CC(=C1)[N+](=O)[O-])O | 3 |
C(CCC)N=C=O.FC=1C(NC(NC1)=O)=O>N(C)(C)C=O>C(CCC)NC(=O)N1C(=O)NC(=O)C(=C1)F | 3 |
C(C)(C)(C)C1=CC2=CC=C3C=C(C=C4C=CC(=C1)C2=C43)C(C)(C)C>BrBr.[Fe].C(Cl)(Cl)(Cl)Cl>BrC=1C2=CC(=CC3=C(C(=C4C=C(C=C(C1Br)C4=C32)C(C)(C)C)Br)Br)C(C)(C)C | 3 |
CC(C)N=C=NC(C)C.[CH3:10][NH:11][CH:12]1[CH2:17][CH2:16][N:15]([C:18]2[S:19][CH:20]=[CH:21][N:22]=2)[CH2:14][CH2:13]1.[C:23]1([C:29]#[C:30][C:31](O)=[O:32])[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>CC#N>[CH3:10][N:11]([CH:12]1[CH2:17][CH2:16][N:15]([C:18]2[S:19][CH:20]=[CH:21][N:22]=2)[CH2:14][CH2:13]1)[C:31](=[O:32])[C:3... | 1 |
[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7](Cl)(=[O:9])=[O:8])=[CH:3][CH:2]=1.[NH2:12][CH2:13][CH2:14][CH2:15][NH:16][CH2:17][CH2:18][CH2:19][NH2:20]>N1C=CC=CC=1>[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7]([NH:12][CH2:13][CH2:14][CH2:15][N:16]([S:7]([C:4]2[CH:5]=[CH:6][C:1]([CH3:11])=[CH:2][CH:3]=2)(=[O:9])=[O:8])[CH2:17][CH... | 1 |
[CH:1]1([CH2:7][C:8]2[S:12][C:11]([NH:13][C:14](=[O:27])[C:15]3[CH:20]=[C:19]([O:21]C)[C:18]([O:23]C)=[C:17]([O:25]C)[CH:16]=3)=[N:10][C:9]=2[C:28]2[CH:33]=[CH:32][C:31]([OH:34])=[CH:30][CH:29]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.B(Br)(Br)Br>>[CH:1]1([CH2:7][C:8]2[S:12][C:11]([NH:13][C:14](=[O:27])[C:15]3[CH:16]=[C:... | 1 |
NC=1C=C(C(=O)O)C=CC1Cl.ClC1=C(C(=O)N=C=O)C=CC=C1>ClCCl.C(C)(C)N(C(C)C)CC>ClC1=C(C=C(C(=O)O)C=C1)NC(=O)NC(C1=C(C=CC=C1)Cl)=O | 3 |
NC1=C(C(NC(N1C1=C(C=CC=C1)Cl)=S)=O)N=O>O.S(O)(O)(=O)=O.N.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC=1C(NC(N(C1N)C1=C(C=CC=C1)Cl)=S)=O | 3 |
[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([S:21]([CH3:24])(=[O:23])=[O:22])=[CH:17][C:16]=2[NH2:25])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:26]1(C)C=CC(S(O)(=O)=O)=CC=1>COC(OC)OC>[CH2:1]([N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15]3[CH:20]=[CH:19][C:18]([S:21]([CH3:24]... | 1 |
N[C@@H]1[C@@H](CCCC1)NC1=C(C2=C(C(=N1)C=1C=NN(C1)C)C(N(C2C)CC2=C(C=C(C=C2)OC)OC)=O)F>>N[C@@H]1[C@@H](CCCC1)NC1=C(C2=C(C(=N1)C=1C=NN(C1)C)C(NC2C)=O)F | 5 |
[Si:1]([O:8][C@@H:9]1[C@@:26]2([CH3:27])[C:13](=[CH:14][CH2:15][C@@H:16]3[C@@H:25]2[CH2:24][CH2:23][C@@:21]2([CH3:22])[C@H:17]3[CH2:18][CH2:19][C@@H:20]2[CH2:28][O:29][CH2:30][CH2:31][C:32]([N:34]([CH3:36])[CH3:35])=[O:33])[CH2:12][C@@H:11]([O:37][Si:38]([C:41]([CH3:44])([CH3:43])[CH3:42])([CH3:40])[CH3:39])[CH2:10]1)(... | 1 |
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