Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[NH2:1][C:2]1[C:7]([S:8]([NH:11][C:12](=O)[CH3:13])(=[O:10])=[O:9])=[CH:6][N:5]=[C:4]([Cl:15])[CH:3]=1.C>C([O-])(O)=O.[Na+]>[Cl:15][C:4]1[N:5]=[CH:6][C:7]2[S:8](=[O:10])(=[O:9])[N:11]=[C:12]([CH3:13])[NH:1][C:2]=2[CH:3]=1
1
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[C:12](=[O:13])[C:9]3([CH2:11][CH2:10]3)[O:8][C:7]=2[CH:14]=1.C(OC(=O)C)(=O)C.[N+:22]([O-])([OH:24])=[O:23]>C(O)(=O)C>[CH3:1][O:2][C:3]1[C:4]([N+:22]([O-:24])=[O:23])=[CH:5][C:6]2[C:12](=[O:13])[C:9]3([CH2:10][CH2:11]3)[O:8][C:7]=2[CH:14]=1
1
C(C1=CC=CC=C1)O[C@@H](C(=O)O)C(COS(=O)(=O)CCCS(=O)(=O)OC1=CC=CC=C1)(C)C>>C(C1=CC=CC=C1)O[C@@H](C(=O)OCC)C(COS(=O)(=O)CCCS(=O)(=O)OC1=CC=CC=C1)(C)C
5
[N+:1]([C:4]1[C:17]2[C:16](=[O:18])[C:15]3[C:10](=[C:11]([N+:19]([O-])=O)[CH:12]=[CH:13][CH:14]=3)[C:9](=[O:22])[C:8]=2[CH:7]=[CH:6][CH:5]=1)([O-])=O.N.[NH4+].[Cl-]>O>[NH2:1][C:4]1[C:17]2[C:16](=[O:18])[C:15]3[C:10](=[C:11]([NH2:19])[CH:12]=[CH:13][CH:14]=3)[C:9](=[O:22])[C:8]=2[CH:7]=[CH:6][CH:5]=1
1
FC(C(CC(=O)N(C)OC)C(F)(F)F)(F)F>C1CCCO1.OC(=O)CC(O)(CC(O)=O)C(O)=O>FC(C(CC=O)C(F)(F)F)(F)F
3
ClC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]>>[N+](=O)([O-])C1=C(C=CC(=C1)C(F)(F)F)N1CCCCC1
5
COC1=NC(=NC(=C1)OC)S(=O)(=O)C.NC1=CC=C(C(=N1)C(=O)OC)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>NC1=CC=C(C(=N1)C(=O)OC)OC1=NC(=CC(=N1)OC)OC
3
CN1N=CC=C1[Sn](CCCC)(CCCC)CCCC.NC1=C(C(=O)OC)C=C(C(=C1)C(F)(F)F)I>>COC(C1=C(C=C(C(=C1)C=1N(N=CC1)C)C(F)(F)F)N)=O
5
FC1=C(C=CC=C1)B(O)O.C(=O)(O)O.BrC=1C=CC=2N(C1)C(=C(N2)Cl)C2=NC(=NC(=N2)C)N>O.O1CCOCC1.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]>ClC=1N=C2N(C=C(C=C2)C2=C(C=CC=C2)F)C1C1=NC(=NC(=N1)C)N
3
O=C1NC(CCC1C1=NN(C2=CC(=CC=C12)N1CCC(CC1)CN1CCC2(CCN(CC2)C(=O)OC(C)(C)C)CC1)C)=O>C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O>C1CN(CCC12CCNCC2)CC2CCN(CC2)C2=CC=C1C(=NN(C1=C2)C)C2C(NC(CC2)=O)=O
3
BrC=1C=C(C=C(C1)SC1=CC=C(C=C1)[N+](=O)[O-])N(C(C)=O)C>[OH-].[Na+].O1CCOCC1>BrC=1C=C(C=C(C1)SC1=CC=C(C=C1)[N+](=O)[O-])NC
3
N(=C=S)C=1N=CC2=CC=CC=C2C1.Cl.Cl.NC[C@]1([C@H]2CCCN(C1)C2)O>>C1=NC(=CC2=CC=CC=C12)NC=1O[C@]2(CN1)[C@H]1CCCN(C2)C1
5
NC1CCN(CC1)C(=O)OC(C)(C)C.COC1=C(CN(S(=O)(=O)C2=NC=C(C(=C2)C)F)C2=NC(=CC=C2)F)C=CC(=C1)OC>CS(=O)C.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+]>COC1=C(CN(S(=O)(=O)C2=CC(=C(C=N2)NC2CCN(CC2)C(=O)OC(C)(C)C)C)C2=NC(=CC=C2)F)C=CC(=C1)OC
3
IC=1C=NN(C1C(=O)N)C>>IC=1C=NN(C1C#N)C
5
C(C)N.ClC1=NC=C(C=C1C=O)C>>ClC1=NC=C(C=C1CNCC)C
5
BrCCC(=O)OC.N1N=C(C=C1)C=1SC=CN1>>S1C(=NC=C1)C1=NN(C=C1)CCC(=O)[O-].[Na+]
5
[OH:1][C:2]1[C:6]([CH3:7])=[C:5]([CH3:8])[S:4][C:3]=1[C:9]([O:11][CH3:12])=[O:10].[C:13](=O)([O-])[O-].[K+].[K+].S(OC)(OC)(=O)=O>CC(C)=O>[CH3:7][C:6]1[C:2]([O:1][CH3:13])=[C:3]([C:9]([O:11][CH3:12])=[O:10])[S:4][C:5]=1[CH3:8]
1
COC1=CC=C(C=C1)S(=O)C1=CC=C(C=C1)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClS(Cl)=O>COC1=CC=C(C=C1)SC1=CC=C(C=C1)OC
3
[CH3:1][C:2]1([CH3:19])[C:10]2[C:5](=[CH:6][C:7]([N+:15]([O-:17])=[O:16])=[C:8]([NH:11]C(=O)C)[CH:9]=2)[NH:4][C:3]1=[O:18].Br[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[C:24]([F:30])[CH:23]=1.C([O-])([O-])=O.[K+].[K+]>Cl>[NH2:11][C:8]1[CH:9]=[C:10]2[C:5](=[CH:6][C:7]=1[N+:15]([O-:17])=[O:16])[N:4]([CH2:21][C:...
1
BrCC(=O)OC(C)(C)C.C(C)(=O)C1=CNC2=CC=C(C=C12)Br>CC#N.C([O-])([O-])=O.[K+].[K+].CCCCCCC>C(C)(=O)C1=CN(C2=CC=C(C=C12)Br)CC(=O)OC(C)(C)C
3
[CH3:1][O:2][C:3]1[C:4]([CH:26]=[C:27]([CH3:29])[CH3:28])=[CH:5][C:6]2[C:12]3[N:13]([C:21]4[S:22][CH:23]=[CH:24][N:25]=4)[N:14]=[C:15]([C:16]([O:18]CC)=[O:17])[C:11]=3[CH2:10][O:9][C:7]=2[CH:8]=1.C1COCC1.O.O[Li].O>CO>[CH3:1][O:2][C:3]1[C:4]([CH:26]=[C:27]([CH3:29])[CH3:28])=[CH:5][C:6]2[C:12]3[N:13]([C:21]4[S:22][CH:23...
2
ClCC=1N=C2N(C(=C(C=C2)C2CC2)F)C1>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC=1N=C2N(C(=C(C=C2)C2CC2)F)C1
3
CC=1N(C=C(N1)C=1C=C(C(=NC1)OC1CCN(CC1)C(CC1=CC=C(C=C1)OC(F)(F)F)=O)C(=O)N)COCC[Si](C)(C)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>CC=1NC=C(N1)C=1C=C(C(=NC1)OC1CCN(CC1)C(CC1=CC=C(C=C1)OC(F)(F)F)=O)C(=O)N
3
[CH:1]1([O:6][C:7]2[CH:15]=[CH:14][C:13]([S:16]([CH3:19])(=[O:18])=[O:17])=[CH:12][C:8]=2[C:9]([OH:11])=O)[CH2:5][CH2:4][CH2:3][CH2:2]1.Cl.[CH2:21]([S:23]([C:26]1[CH:27]=[CH:28][C:29]2[O:33][C:32]([N:34]3[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]3)=[N:31][C:30]=2[CH:40]=1)(=[O:25])=[O:24])[CH3:22]>>[CH:1]1([O:6][C:7]2[CH:...
1
BrC1=NC=CC(=C1)Cl.C1(CCC1)[C@@H](C)NC1=C2N(C=NC2=NC(=N1)C#N)CC1=CC=C(C=C1)C(F)(F)F>>ClC1=CC(=NC=C1)C1=NC2=NC(=NC(=C2N1CC1=CC=C(C=C1)C(F)(F)F)N[C@H](C)C1CCC1)C#N
5
[F:1][C:2]([F:15])([C:7]1[CH:14]=[CH:13][C:10]([CH2:11][NH2:12])=[CH:9][CH:8]=1)[C:3]([F:6])([F:5])[F:4].C1CCC(N=C=NC2CCCCC2)CC1.[C:31](=S)=[S:32]>C(OCC)C>[F:1][C:2]([F:15])([C:7]1[CH:14]=[CH:13][C:10]([CH2:11][N:12]=[C:31]=[S:32])=[CH:9][CH:8]=1)[C:3]([F:5])([F:4])[F:6]
1
NC1=NC=2C=CC=CC2C2=C1N=C(N2CC2(CCCCC2)O)CCl>>NC1=NC=2C=CC=CC2C2=C1N=C(N2CC2(CCCCC2)O)CN2C(C1=CC=CC=C1C2=O)=O
5
[Br:1][C:2]1[C:3](Cl)=[N:4][C:5]([Cl:8])=[N:6][CH:7]=1.[CH3:10][O-:11].[Na+]>CO>[Br:1][C:2]1[C:3]([O:11][CH3:10])=[N:4][C:5]([Cl:8])=[N:6][CH:7]=1
1
Cl.[NH2:2][C@H:3]([CH2:9][CH3:10])[CH2:4][C:5]([O:7][CH3:8])=[O:6].[C:11]([C:15]1[CH:20]=[CH:19][C:18]([N:21]=[C:22]=[O:23])=[CH:17][CH:16]=1)([CH3:14])([CH3:13])[CH3:12]>C(Cl)Cl>[C:11]([C:15]1[CH:20]=[CH:19][C:18]([NH:21][C:22](=[O:23])[NH:2][C@H:3]([CH2:9][CH3:10])[CH2:4][C:5]([O:7][CH3:8])=[O:6])=[CH:17][CH:16]=1)([...
2
[CH3:1][N:2]1[CH:7]=[C:6](B2OC(C)(C)C(C)(C)O2)[CH:5]=[C:4]([NH:17][C:18]2[CH:23]=[CH:22][N:21]=[C:20]([CH3:24])[N:19]=2)[C:3]1=[O:25].[C:26]([C:30]1[CH:31]=[C:32]2[C:37](=[C:38]([F:40])[CH:39]=1)[C:36](=[O:41])[N:35]([C:42]1[N:49]=[CH:48][CH:47]=[C:46](Cl)[C:43]=1[CH:44]=[O:45])[N:34]=[CH:33]2)([CH3:29])([CH3:28])[CH3:...
1
[C:1]12([O:11][C:12]3[CH:18]=[C:17]([CH3:19])[C:15]([NH2:16])=[C:14]([CH2:20]SC)[CH:13]=3)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2>[Ni]>[C:1]12([O:11][C:12]3[CH:13]=[C:14]([CH3:20])[C:15]([NH2:16])=[C:17]([CH3:19])[CH:18]=3)[CH2:2][CH:3]3[CH2:9][CH:7]([CH2:6][CH:5]([CH2:4]3)[CH2:10]1)[CH2:8...
1
[N+:1]([C:4]1[CH:8]=[C:7]([CH2:9][OH:10])[NH:6][N:5]=1)([O-:3])=[O:2].C(=O)([O-])[O-].[Cs+].[Cs+].[Br:17][CH:18](Br)[CH3:19].C(OCC)(=O)C>CN(C=O)C.O>[Br:17][CH2:18][CH2:19][N:6]1[C:7]([CH2:9][OH:10])=[CH:8][C:4]([N+:1]([O-:3])=[O:2])=[N:5]1
1
Cl.C(C)(C)(C)ON.ClC1=C(OCCCCCOCC=O)C(=CC(=C1)OCC=C(Cl)Cl)Cl>>C(C)(C)(C)ON=CCOCCCCCOC1=C(C=C(C=C1Cl)OCC=C(Cl)Cl)Cl
5
[CH2:1]([O:3][C:4]1([O:26]CC)[C@@H:9]([CH3:10])[C@H:8]([NH:11][C:12](=[O:14])[CH3:13])[C:7]([C:15](=[O:24])[NH:16][C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=2)=[C:6]([CH3:25])[O:5]1)[CH3:2]>O1CCCC1.Cl.O>[CH3:10][CH:9]([CH:8]([NH:11][C:12](=[O:14])[CH3:13])[CH:7]([C:15](=[O:24])[NH:16][C:17]1[CH:22]=[CH:21][C:...
1
IC1=C(N)C=CC=C1>O.C([O-])([O-])=O.[K+].[K+].[S].O.O.[Cu](Cl)Cl.N1=CC=CC2=CC=C3C=CC=NC3=C12>NC1=C(C=CC=C1)SSC1=C(C=CC=C1)N
3
CC1=C(C=C(C(=O)OC)C=C1)N1C(C2=CC(=CC=C2C=C1)C#CCN1CCOCC1)=O>>CN(CCCC1=CC=C2C=CN(C(C2=C1)=O)C=1C=C(C(=O)OC)C=CC1C)C
5
FC1=CC=C(C=C1)C(O)C1=CC=C2C=CC=NC2=C1[N+](=O)[O-]>>FC1=CC=C(C=C1)C(=O)C1=CC=C2C=CC=NC2=C1[N+](=O)[O-]
5
C(C)(=O)OCC1(CCN(CC1)C(C)=O)F>O.C1CCCO1.C(C)(=O)OCC.[OH-].[Li+]>FC1(CCN(CC1)C(C)=O)CO
3
[F:1][C:2]([F:27])([F:26])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:13]3[CH:14]=[CH:15][C:16]([C:18]#[C:19][CH2:20]OS(C)(=O)=O)=[CH:17][C:12]=3[S:11][N:10]=2)=[CH:5][CH:4]=1.[CH3:28][NH:29][CH3:30]>>[CH3:28][N:29]([CH3:30])[CH2:20][C:19]#[C:18][C:16]1[CH:15]=[CH:14][C:13]2[C:9]([C:6]3[CH:7]=[CH:8][C:3]([C:2]([F:27])([F:26])[F:...
1
FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C=1C=NN(C1)CC=O>ClCCl.C(C)(C)N(C(C)C)CC.C[Si](C)(C)C#N>FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C=1C=NN(C1)CC(C#N)O
3
O1CCOC12CCC(CC2)O.ClC1=C2C=CN=CC2=CC=C1F>N(C)(C)C=O.[H-].[Na+]>ClC1=C2C=CN=CC2=CC=C1OC1CCC2(OCCO2)CC1
3
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[O:12][CH2:13][C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=[O:19])=[CH:16][CH:15]=1)[NH:8][C:7](=[O:23])[CH2:6][CH2:5]2.[Cl:24][C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1.C(=O)(O)[O-].[Na+].O>CN(C)C=O.C(OCC)(=O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=...
1
ClC1=CC=C(C=C1)C(N1CC2(C3(OCCO3)CCN(C2)C(=O)OC(C)(C)C)CC1)C1=CC=C(C=C1)Cl>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC=C(C=C1)C(N1CC2(C3(OCCO3)CCNC2)CC1)C1=CC=C(C=C1)Cl
3
[Na].CCO.[C:5]([O:9][C:10]([N:12]1[CH2:17][CH2:16][N:15]([C@@H:18]2[CH2:23][CH2:22][CH2:21][CH2:20][C@@H:19]2[C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH2:14][CH2:13]1)=[O:11])([CH3:8])([CH3:7])[CH3:6]>CCOC(C)=O>[C:5]([O:9][C:10]([N:12]1[CH2:13][CH2:14][N:15]([C@@H:18]2[CH2:23][CH2:22][CH2:21][CH2:20][C@H:19]2[C:24]([O:26...
2
[NH2:1][C:2]1[CH:12]=[C:11]([C:13]([CH3:16])([CH3:15])[CH3:14])[C:5]2[O:6][CH2:7][C:8]([CH3:10])([CH3:9])[C:4]=2[CH:3]=1.CN(C1C=CC=CN=1)C.[C:26](Cl)(=[O:28])[CH3:27].CCCCCC>C(Cl)Cl.CCOCC.CCOC(C)=O>[C:13]([C:11]1[C:5]2[O:6][CH2:7][C:8]([CH3:10])([CH3:9])[C:4]=2[CH:3]=[C:2]([NH:1][C:26](=[O:28])[CH3:27])[CH:12]=1)([CH3:1...
1
FC=1C=C(C#N)C=CC1[N+](=O)[O-].C[C@]1(CC2(O[C@@H]([C@H](O2)C2=CC=CC=C2)C2=CC=CC=C2)CCC1)CN>CC#N>C[C@]1(CC2(O[C@@H]([C@H](O2)C2=CC=CC=C2)C2=CC=CC=C2)CCC1)CNC=1C=C(C#N)C=CC1[N+](=O)[O-]
3
N1=CNC2=C1C=CN=C2.BrCC1=NC=C(C#N)C(=C1)Cl>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>N1(C=NC2=C1C=CC=C2)CC2=CC(=C(C#N)C=C2)Cl
3
FC1=C(C(=CC(=C1)F)F)CC(=O)Cl.C(C)OC(=O)C1=C(N=NC=C1)N>C1(=CC=CC=C1)C.C1(=CC=NC=C1)N(C)C>C(C)OC(=O)C1=C(N=NC=C1)NC(CC1=C(C=C(C=C1F)F)F)=O
3
C1(CCCCC1)N.ClC1=NC(C2=NCN([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)C2=N1)(N)Cl>>ClC=1N=C(C=2N=CN([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)C2N1)NC1CCCCC1
5
ClC[CH2:3][CH2:4][CH2:5][CH2:6][C:7]1[N:12]2[CH:13]=[N:14][CH:15]=[C:11]2[CH:10]=[CH:9][CH:8]=1.BrCCCC[Cl:21]>>[Cl:21][CH2:3][CH2:4][CH2:5][CH2:6][C:7]1[N:12]2[CH:13]=[N:14][CH:15]=[C:11]2[CH:10]=[CH:9][CH:8]=1
1
F[C:2]1[CH:7]=[C:6]([I:8])[CH:5]=[C:4]([O:9][CH3:10])[N:3]=1.[OH-].[NH4+:12]>C(O)CCC>[I:8][C:6]1[CH:5]=[C:4]([O:9][CH3:10])[N:3]=[C:2]([NH2:12])[CH:7]=1
1
CSCC1=C(C=CC(=C1)[N+](=O)[O-])CC#N>ClCCl.[OH-].[Na+].BrCCBr.[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]>CSCC1=C(C=CC(=C1)[N+](=O)[O-])C1(CC1)C#N
3
[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[O:9][CH:10]=[CH:11][CH:12]=2)[C:5]([C:13]#[N:14])=[C:4](SC)[N:3]=1.[C:17]1([CH2:23][CH2:24][NH2:25])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>C(O)C>[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[O:9][CH:10]=[CH:11][CH:12]=2)[C:5]([C:13]#[N:14])=[C:4]([NH:25][CH2:24][CH2:23][C:17]2[CH:22]=[CH:21][CH:20]=[...
1
C1(=CC=CC=C1)NC=1C(C(=O)O)=CC=CC1>[OH-].[Na+].C(C)(=O)OC(C)=O.C(C)(=O)O>OC1=CC(N(C2=CC=CC=C12)C1=CC=CC=C1)=O
3
FC1=CC=C(C=C1)C(C)=O.C1(CCC1)N1CCC(CC1)OC1CCNCC1>C([O-])([O-])=O.[K+].[K+].CS(=O)C>C1(CCC1)N1CCC(CC1)OC1CCN(CC1)C1=CC=C(C=C1)C(C)=O
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)NCCN1C(C2=C(CC1)NC=C2C)=O>O.C([O-])([O-])=O.[K+].[K+].C(C)(C)O>C(C)(C)(C)OC(N(CCN1C(C2=C(CC1)NC=C2C)=O)CC)=O
3
BrC(C(=O)Cl)C.NC1=C(C(=CC=C1)Br)O>>BrC(C(=O)NC1=C(C(=CC=C1)Br)O)C
3
C1(C)C=CC(S(O)(=O)=O)=CC=1.[I:12][C:13]1[CH:14]=[N:15][N:16]([CH2:18][C:19]([CH3:23])([CH3:22])[CH2:20][OH:21])[CH:17]=1.[O:24]1[CH:29]=[CH:28][CH2:27][CH2:26][CH2:25]1>C(Cl)Cl.CCOC(C)=O>[CH3:22][C:19]([CH3:23])([CH2:20][O:21][CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][O:24]1)[CH2:18][N:16]1[CH:17]=[C:13]([I:12])[CH:14]=[...
1
[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=O)=[CH:4][CH:3]=1.[CH3:10][C@H:11]1[O:16][C@@H:15]([CH3:17])[CH2:14][NH:13][CH2:12]1.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].CC(O)=O>ClCCCl>[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][N:13]2[CH2:12][C@H:11]([CH3:10])[O:16][C@H:15]([CH3:17])[CH2:14]2)=[CH:4][CH:3]=1
1
CSCCCl.OC=1C=C(C=CC1)C(C)N1C=NC2=CC=C(C=C2C1=O)C=1C=NN(C1)C1OCCCC1>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>CSCCOC=1C=C(C=CC1)C(C)N1C=NC2=CC=C(C=C2C1=O)C=1C=NN(C1)C1OCCCC1
3
C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)N.ClC=1N=NC(=C(N1)NC1=C2C=CN(C2=CC=C1)C)C(=O)OCC>C1CCCO1.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)NC=1N=NC(=C(N1)NC1=C2C=CN(C2=CC=C1)C)C(=O)OCC
3
C(C)(C)(C)OC1=CC=C(C=C1)[C@@H](C)N>Cl>N[C@H](C)C1=CC=C(C=C1)O
3
[NH2:1][C@@H:2]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH2:3][C@H:4]([OH:23])[C@@H:5]([NH:13][C:14](=[O:22])[O:15][CH2:16][C:17]1[S:21][CH:20]=[N:19][CH:18]=1)[CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.Cl[C:32]([O:34][CH:35]([CH3:37])[CH3:36])=[O:33].C1(C)C=CC=CC=1>CN(C1C=CN=CC=1)C.CN(C=O)C>[CH...
2
Cl.COC(CN)=O.COC[C@@H](OC=1C=C(C=C(C1)OC1=CC=C(C=C1)S(=O)(=O)C)C1=CC=C(N1)C(=O)O)C>C1(=CC=NC=C1)N(C)C.ClCCl.Cl.CN(CCCN=C=NCC)C>COC[C@@H](OC=1C=C(C=C(C1)OC1=CC=C(C=C1)S(=O)(=O)C)C1=CC=C(N1)C(=O)NCC(=O)OC)C
3
CN(C)C=C1C(C2=C(N(CC1)C(C1=CC=C(C=C1)[N+](=O)[O-])=O)N=CC=C2)=O>CO[H].O.NN>[N+](=O)([O-])C1=CC=C(C(=O)N2C3=C(C4=C(CC2)C=NN4)C=CC=N3)C=C1
3
CI.IC1=C(C=C(C=C1C)C1=NC(NC=C1)=O)C>>IC1=C(C=C(C=C1C)C1=NC(N(C=C1)C)=O)C
5
C(OC([CH:6]1[CH2:11][CH2:10][N:9]([CH2:12][C:13]2[CH:18]=[CH:17][C:16]([C@@H:19]3[O:28][C:23]4=[N:24][CH:25]=[CH:26][CH:27]=[C:22]4[O:21][CH2:20]3)=[CH:15][CH:14]=2)[CH2:8][CH2:7]1)=O)C.Cl.[C@H]12C[C@H](NC1)C[N:31]2[C:37]([NH2:39])=[O:38]>>[O:21]1[C:22]2[C:23](=[N:24][CH:25]=[CH:26][CH:27]=2)[O:28][C@@H:19]([C:16]2[CH:...
2
[CH3:1][O:2][C:3](=[O:31])[CH2:4][CH2:5][CH2:6][C:7]([C:9]1[CH:14]=[CH:13][C:12]([O:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:20]=[CH:21]/[C:22]2[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[CH:24][CH:23]=2)=[C:11]([OH:30])[CH:10]=1)=[O:8].[CH2:32]([O:34][C:35](=[O:38])[CH2:36]Br)[CH3:33].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O>[C...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][C:18]=3[Cl:24])=[N:10][C:11]([CH:15]=[O:16])=[N:12][C:13]=2[CH3:14])=[CH:4][CH:3]=1.CC(=CC)C.[O-:30]Cl=O.[Na+].C(OCC)(=O)C>C(O)(C)(C)C.O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][C:18]...
2
[NH2:1][C:2]1[C:9]([NH:10][CH3:11])=[CH:8][C:5]([C:6]#[N:7])=[C:4]([Br:12])[CH:3]=1.[CH:13](=O)[C:14]1[CH:19]=[CH:18][CH:17]=[N:16][CH:15]=1.OOS([O-])=O.[K+]>CN(C=O)C.O>[Br:12][C:4]1[C:5]([C:6]#[N:7])=[CH:8][C:9]2[N:10]([CH3:11])[C:13]([C:14]3[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=3)=[N:1][C:2]=2[CH:3]=1
1
Cl[C:2]1[C:7]([C:8](=[O:16])[C:9]2[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][CH:10]=2)=[CH:6][N:5]=[C:4]2[N:17]([CH2:20][CH3:21])[N:18]=[CH:19][C:3]=12.Cl.[NH2:23]O>C(O)(=O)C>[Cl:15][C:12]1[CH:13]=[CH:14][C:9]([C:8]2[O:16][N:23]=[C:2]3[C:7]=2[CH:6]=[N:5][C:4]2[N:17]([CH2:20][CH3:21])[N:18]=[CH:19][C:3]3=2)=[CH:10][CH:11]=1
1
CI.BrC=1C=CC(NC1)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>BrC=1C=CC(N(C1)C)=O
3
CC1=NSC(=N1)C1=CC=C(C=C1)N.ClC1=NC(=CC(=N1)C(C)(C)O)C1=CC=C(C=C1)C(F)(F)F>>CC1=NSC(=N1)C1=CC=C(C=C1)NC1=NC(=CC(=N1)C(C)(C)O)C1=CC=C(C=C1)C(F)(F)F
5
C[Mg]Cl.C(C1=CC=CC=C1)N1CCC(CC1)(C#N)N1CCN(CC1)C>C1CCCO1.[Cl-].[NH4+]>C(C1=CC=CC=C1)N1CCC(CC1)(C)N1CCN(CC1)C
3
CN(C1(CCC(CC1)=O)C1=CC=CC=C1)C>CCO[H].Cl.NO>CN(C1(CCC(CC1)=NO)C1=CC=CC=C1)C
3
S(=O)(=O)(O)O.N[C@H:7]([C:12]([OH:14])=[O:13])[CH2:8][CH:9]([CH3:11])[CH3:10].[K+].[Br-:16].N([O-])=O.[Na+]>C1(C)C=CC=CC=1.O>[Br:16][C@H:7]([CH2:8][CH:9]([CH3:11])[CH3:10])[C:12]([OH:14])=[O:13]
1
NC1=NC(=CC(=N1)Cl)Cl>>ClC1=NC(=NC(=C1)OC)N
5
Cl.Cl.N1(CCCCC1)CCOC1=CC2=C(CNCCC2)C=C1>>Cl.Cl.C(C)(C)N1CC2=C(CCC1)C=C(C=C2)OCCN2CCCCC2
5
[CH2:1]([O:3][C:4]([CH:6]1[CH:18]([CH2:19][O:20][CH3:21])[C:17]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][C:15]=3[O:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[NH:10][C:9]=2[CH2:8][NH:7]1)=[O:5])[CH3:2].C(N(CC)CC)C.ClOC(C)(C)C>C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[N:7]=[CH:8][C:9]2[NH:10][C:11]3[C:16]([C:17]=2[C...
1
[CH2:1]([N:3]([CH2:37][CH3:38])[CH2:4][CH2:5][CH2:6][NH:7][C:8]1[N:9]=[C:10]([C:27]2[CH:28]=[C:29]([CH:33]=[CH:34][C:35]=2[CH3:36])[C:30](O)=[O:31])[C:11]2[CH:17]=[CH:16][C:15](=[O:18])[N:14]([C:19]3[C:24]([F:25])=[CH:23][CH:22]=[CH:21][C:20]=3[F:26])[C:12]=2[N:13]=1)[CH3:2].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)...
2
C(C)(C)(C)[Si](OC(CCC1=C(C=C(C=C1)C(CC)(CC)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C)C)C(C)(C)C)(C)C>ClCCl.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].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=...
3
[CH2:1]([O:3][C:4]([C:6]1([C:9]2[CH:14]=[CH:13][C:12]([C:15]3[CH:20]=[CH:19][C:18]([C:21]4[O:25][N:24]=[C:23]([CH3:26])[C:22]=4Br)=[CH:17][CH:16]=3)=[CH:11][CH:10]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2].C([Li])CCC.[CH3:33][C:34]([CH3:45])([CH2:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH2:35][CH:36]=[O:37]>C1COCC1>[...
1
[CH3:1][C:2]1[CH:7]=[C:6]([C:8]([OH:10])=O)[CH:5]=[CH:4][C:3]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[CH3:17].[NH2:18][C:19](=[N:31]O)[C:20]1[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][C:21]=1[F:30]>>[CH3:1][C:2]1[CH:7]=[C:6]([C:8]2[O:10][N:31]=[C:19]([C:20]3[CH:29]=[CH:28][C:23]([C:24]([O:26][C...
1
[C:1]1(/[CH:7]=[CH:8]/[CH2:9][CH2:10][OH:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CCN(CC)CC.Cl[S:20]([N:23]=C=O)(=[O:22])=[O:21].C(O)=O>C(Cl)Cl>[S:20](=[O:22])(=[O:21])([O:11][CH2:10][CH2:9]/[CH:8]=[CH:7]/[C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[NH2:23]
2
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:22])[C:9]([C:15]2[CH:16]=[CH:17][C:18](=[O:21])[NH:19][CH:20]=2)([OH:14])[C:10]([F:13])([F:12])[F:11])=[C:4]([Cl:23])[CH:3]=1.I[CH2:25][CH3:26]>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:22])[C:9]([C:15]2[CH:16]=[CH:17][C:18](=[O:21])[N:19]([CH2:25][CH3:26])[CH:20]=2)([OH:14]...
1
C(CC(=O)OC)(=O)OC>>COC(C(C(=O)OC)=C(C)N)=O
5
[NH2:1][C:2]1[C:7]([C:8]([NH2:10])=[O:9])=[C:6]([N:11]2[CH2:16][CH2:15][CH:14]([C:17]3[N:18]([CH3:33])[CH:19]=[C:20]([C:22]4[CH:27]=[CH:26][C:25]([F:28])=[C:24]([C:29](F)(F)F)[CH:23]=4)[N:21]=3)[CH2:13][CH2:12]2)[N:5]=[CH:4][N:3]=1.NC1C(C#N)=C(N2CCC(C3N(C[CH2:63][OH:64])C=C(C4C=CC(F)=C(C)C=4)N=3)CC2)N=CN=1>>[NH2:1][C:2...
1
[NH2:1][C:2]1[C:3]([N:23]2[CH2:28][CH2:27][N:26]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=3[CH3:35])[CH2:25][CH2:24]2)=[CH:4][C:5]([CH:20]2[CH2:22][CH2:21]2)=[C:6]([CH:19]=1)[C:7]([NH:9][CH2:10][CH2:11][CH2:12][N:13]1[CH2:17][CH2:16][CH2:15][C:14]1=[O:18])=[O:8].C(N(CC)C(C)C)(C)C.[O:45]1[CH:49]=[CH:48][CH:47]=[C:46]...
1
[C@H:1]([N:5]([CH3:26])[C:6]1[C:7]([C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)=[N:8][C:9]2[C:14]([N:15]=1)=[CH:13][C:12]([C:16](O)=[O:17])=[CH:11][CH:10]=2)([CH2:3][CH3:4])[CH3:2].C(N(CC)CC)C.[CH3:34][C:35]([NH2:38])([CH3:37])[CH3:36].C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC>ClCCl.O>[C:35]([NH:38][C:16]([C:12]1[C...
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[O:14][C@H:10]2[C:11]([NH2:13])=[O:12])=[CH:5][CH:4]=1.C1(C)C(C)=CC=CC=1.N[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[SH:30].CS(O)(=O)=O>CO>[OH:14][C@H:10]1[C:11](=[O:12])[NH:13][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[S:30][C@H:9]1[C:6]1[CH:7]=[CH:8][C:3]([O:2][CH3:...
1
[CH3:1][C:2]([NH2:10])([CH3:9])[CH2:3][NH:4][C:5]([CH3:8])([CH3:7])[CH3:6].[CH3:11][C:12]([CH2:14][CH3:15])=O.[OH-:16].[Na+].[CH:18](Cl)(Cl)Cl>>[C:5]([N:4]1[CH2:3][C:2]([CH3:9])([CH3:1])[NH:10][C:12]([CH2:14][CH3:15])([CH3:18])[C:11]1=[O:16])([CH3:8])([CH3:7])[CH3:6]
1
ClC=1C=C(C#N)C=CN1.Cl.C(C)(C)(C)OC(CCN)=O>CS(=O)C.C(C)(C)N(C(C)C)CC>C(#N)C1=CC(=NC=C1)NCCC(=O)OC(C)(C)C
3
S([O-])([O-])(=O)=O.[Al+3].S([O-])([O-])(=O)=O.S([O-])([O-])(=O)=O.[Al+3].C(=O)([O-])[O-].[Na+].[Na+].[O-:24][P:25]([O:28]P([O-])([O-])=O)(=[O:27])[O-:26].[Ca+2:33].[Ca+2]>>[P:25]([O-:28])([O-:27])([O-:26])=[O:24].[Ca+2:33].[P:25]([O-:28])([O-:27])([O-:26])=[O:24].[Ca+2:33].[Ca+2:33]
1
[Al+3].[Cl-].[Cl-].[Cl-].[C:5](OC(=O)C)(=[O:7])[CH3:6].[Br:12][C:13]1[CH:14]=[C:15]2[C:19](=[CH:20][CH:21]=1)[NH:18][C:17]([C:22]([NH:24][CH2:25][CH2:26][O:27][CH3:28])=[O:23])=[CH:16]2>ClCCl>[C:5]([C:16]1[C:15]2[C:19](=[CH:20][CH:21]=[C:13]([Br:12])[CH:14]=2)[NH:18][C:17]=1[C:22]([NH:24][CH2:25][CH2:26][O:27][CH3:28])...
2
C([O:3][C:4]([C:6]1[C:10]2[N:11]=[CH:12][N:13]=[C:14]([C:15]3[C:23]4[O:22][CH2:21][O:20][C:19]=4[CH:18]=[CH:17][C:16]=3[O:24][CH2:25][CH:26]3[CH2:28][CH2:27]3)[C:9]=2[NH:8][CH:7]=1)=[O:5])C.[Li+].[OH-]>O1CCOCC1.O>[CH:26]1([CH2:25][O:24][C:16]2[CH:17]=[CH:18][C:19]3[O:20][CH2:21][O:22][C:23]=3[C:15]=2[C:14]2[C:9]3[NH:8]...
1
[OH:1][C:2]1[CH:15]=[CH:14][C:13]2[C:12](=[O:16])[C:11]3[C:6](=[CH:7][CH:8]=[C:9]([OH:17])[CH:10]=3)[C:5](=[O:18])[C:4]=2[CH:3]=1.C([O-])([O-])=O.[K+].[K+].Br[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43]>C1(C)C=CC=CC=1>[C...
2
[CH3:1][S:2]([N:5]([CH2:12][C@@H:13]1[N:18]([C:19]2[N:24]=[CH:23][C:22]([C:25]([OH:34])([C:30]([F:33])([F:32])[F:31])[C:26]([F:29])([F:28])[F:27])=[CH:21][N:20]=2)[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14]1)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)(=[O:4])=[O:3].C(O)(C(F)(F)F)=O.C(N(CC)CC)C.[N+:56]([C:59]1[S:63][...
1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:16]=[C:15]3[C:11]([CH2:12][N:13]([C@@H:18]([CH:23]([CH3:25])[CH3:24])[C:19]([O:21][CH3:22])=[O:20])[C:14]3=[O:17])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.[N:26]1[CH:31]=[C:30]([C:32]2[CH:40]=[CH:39][C:35]([C:36](Cl)=[O:37])=[CH:34][CH:33]=2)[CH:29]=[N:28][CH:27]=1>>[CH3:24][CH:23]([CH...
1
C(C)C=1C(=CC(=C(C1)NC1=C(C=C(C=C1)C(C)=O)[N+](=O)[O-])OC)OC>C1CCCO1.CO[H].[HH].[Ni]>NC=1C=C(C=CC1NC1=C(C=C(C(=C1)CC)OC)OC)C(C)=O
3
Br[C:2]1[CH:16]=[CH:15][C:5]([C:6]([CH3:14])([CH3:13])[C@@H:7]([C:10]([OH:12])=[O:11])[NH:8][CH3:9])=[CH:4][CH:3]=1.[C:17]1(B(O)O)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.O>[C:17]1([C:2]2[CH:16]=[CH:15][C:5]([C:6]([CH3:14])([CH3:13])[C@@H:7]([C:10]([OH:12])=[O:11])[NH:8][CH3:9])=[CH:4]...
2