Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[2H]C(I)([2H])[2H].N1(C=NC=C1)C=1C=C(OC=2C=C(C=CC2)N2N=CC(=C2)C2=C(C=CC=C2C(C)C)C(C)C)C=CC1>C(C)(=O)OCC.CCCCC.C(C)CCCC.CC(C)CC>[I-].C(C)(C)C1=C(C(=CC=C1)C(C)C)C=1C=NN(C1)C=1C=C(OC=2C=C(C=CC2)N2C=[N+](C=C2)C([2H])([2H])[2H])C=CC1
3
CC1(OC[C@H](O1)CN1N=C(C=C1)[N+](=O)[O-])C>CCO[H].[HH].[Pd]>CC1(OC[C@H](O1)CN1N=C(C=C1)N)C
3
C(CCC)[Sn](C=1C=C2C(C=C(OC2=CC1)C1=CC=C(C=C1)NC)=O)(CCCC)CCCC>>IC=1C=C2C(C=C(OC2=CC1)C1=CC=C(C=C1)NC)=O
5
C(C)(=O)NC=1N=C(SC1)C=1C=C2C(=C(N(C(C2=CC1)=O)CC(C)C)CNC(OC(C)(C)C)=O)C1=CC=CC=C1>Cl.C(C)(=O)OCC>Cl.NCC=1N(C(C2=CC=C(C=C2C1C1=CC=CC=C1)C=1SC=C(N1)NC(C)=O)=O)CC(C)C
3
O(C1=CC=CC=C1)C1=CC=C(OCCO)C=C1>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.BrN1C(CCC1=O)=O>BrCCOC1=CC=C(C=C1)OC1=CC=CC=C1
3
[Br:1][C:2]1[CH:3]=[C:4]([NH:8][C:9](=[N:17][S:18](=[O:21])(=[O:20])[NH2:19])OC2C=CC=CC=2)[CH:5]=[CH:6][CH:7]=1.[CH3:22][C:23]1[C:31]2[C:30]([N:32]3[CH2:37][CH2:36][NH:35][C@@H:34]([CH3:38])[CH2:33]3)=[N:29][CH:28]=[N:27][C:26]=2[NH:25][CH:24]=1.C(N(CC)CC)C>CC#N>[Br:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]([N:35]2[CH2:36][CH2:...
1
O(C1=CC=CC=C1)CC1=CC=C(C=C1)CC(=O)O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O(C1=CC=CC=C1)CC1=CC=C(C=C1)CCO
3
C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)N[C@@H](C)C(=O)O.C(C1=CC=CC=C1)N[C@H](C(OCC)OCC)C>ClCCl.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>C(C)OC([C@H](C)N(C([C@H](C)NC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)=O)CC1=CC=CC=C1)OCC
3
O.FC(C(C(=O)OCC)=O)(F)F>CCO[H]>C(C)OC(C(=O)OCC)(C(F)(F)F)O
3
COC(=O)C1=CC=C(C=C1)B(O)O.N/C=1/C\C(=C/C2=C(\N1)C=C(C=C2)Br)\C(=O)N(CCC)CCC>>N/C=1/C\C(=C/C2=C(\N1)C=C(C=C2)C2=CC=C(OCC(=O)OCC)C=C2)\C(N(CCC)CCC)=O
5
[C:1]([C:4]1[CH:18]=[CH:17][C:7]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([OH:16])=O)=[C:6]([CH2:19][CH2:20][CH3:21])[C:5]=1[OH:22])(=[O:3])[CH3:2].[N:23]1[CH:28]=[C:27]([CH2:29][CH2:30][CH2:31][CH2:32][NH2:33])[CH:26]=[N:25][CH:24]=1>>[C:1]([C:4]1[CH:18]=[CH:17][C:7]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:...
1
C([O:8][C:9]1[CH:10]=[C:11]2[C:16](=[CH:17][C:18]=1[O:19][CH3:20])[N:15]=[CH:14][N:13]=[C:12]2[O:21][C:22]1[CH:23]=[C:24]([CH:26]=[CH:27][CH:28]=1)[NH2:25])C1C=CC=CC=1>C(O)C.C1COCC1.[Pd]>[NH2:25][C:24]1[CH:23]=[C:22]([CH:28]=[CH:27][CH:26]=1)[O:21][C:12]1[C:11]2[C:16](=[CH:17][C:18]([O:19][CH3:20])=[C:9]([OH:8])[CH:10]...
1
[NH2:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[C:5]([CH2:12][CH2:13][CH3:14])[N:6]=[CH:7]2.[I-].CS[C:18]1[S:19][CH2:20][C@@H:21]2[CH2:30][C:29]3[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=3[CH2:23][N+:22]=12>>[CH2:12]([C:5]1[N:6]=[CH:7][C:8]2[C:3]([CH:4]=1)=[C:2]([N:1]=[C:18]1[N:22]3[CH2:23][C:24]4[CH:25]=[CH:26][CH:...
1
[OH-].[K+].N#N.Cl.Cl.[N:7]1(C[C@H](N)C)[CH:11]=[N:10][N:9]=[N:8]1.[NH2:16][C:17]1[CH:25]=[C:24]([C:26]([OH:28])=O)[C:23]([N+:29]([O-])=O)=[CH:22][C:18]=1[C:19]([OH:21])=O.C1C=C[C:35]2N(O)N=[N:38][C:36]=2[CH:37]=1.CCN=C=N[CH2:47][CH2:48][CH2:49][N:50]([CH3:52])C.[CH:53]1(N)CC1>C1COCC1.CO.O.CN(C=O)C.CN(C1C=CN=CC=1)C.CCN(...
2
[CH3:1][N:2]([CH3:10])[C@@H:3]1[CH2:8][CH2:7][CH2:6][CH2:5][C@H:4]1[NH2:9].[F:11][C:12]([F:23])([F:22])[C:13]1[CH:14]=[C:15]([CH:19]=[CH:20][CH:21]=1)[C:16](Cl)=[O:17].[C:24]1([CH3:34])[CH:29]=[CH:28][C:27]([S:30]([OH:33])(=[O:32])=[O:31])=[CH:26][CH:25]=1>CCOCC>[C:24]1([CH3:34])[CH:25]=[CH:26][C:27]([S:30]([OH:33])(=[...
1
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][N:3]=1.[C:8]([O:12][C:13](=[O:28])[N:14]([C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=1)[C:15](=[O:20])[CH2:16][CH2:17][C:18]#[CH:19])([CH3:11])([CH3:10])[CH3:9]>>[C:8]([O:12][C:13](=[O:28])[N:14]([C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=1)[C:15](=[O:20])[CH2:16][CH2...
1
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([C:15]2[N:19]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([Cl:26])[CH:21]=3)[N:18]=[C:17]([C:27]([O:29]CC)=[O:28])[CH:16]=2)[CH:12]=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC1C=C(N2C(C3C=C(F)C=C(Cl)C=3)=CC(C(O)=O)=N2)C=CC=1F>>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([C:15]2[N:19](...
1
[CH:1]([Si:3]([CH:7]=[CH2:8])([CH:5]=[CH2:6])[Cl:4])=[CH2:2].[Cl:9][Si:10]([Cl:17])([Cl:16])[CH2:11][CH2:12][SiH:13]([Cl:15])[Cl:14]>>[Cl:14][Si:13]([Cl:15])([CH2:12][CH2:11][Si:10]([Cl:17])([Cl:16])[Cl:9])[CH2:2][CH2:1][Si:3]([CH2:7][CH2:8][Si:13]([Cl:15])([Cl:14])[CH2:12][CH2:11][Si:10]([Cl:17])([Cl:16])[Cl:9])([CH2:...
1
CN(C1=CC=C(C=C1)C#C[Si](C)(C)C)C>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#C)C1=CC=C(C=C1)N(C)C
3
[C-]#N.[Zn+2].[C-]#N.C(C)(=O)NC1=C(N(C(=C1)Cl)C1=CC=C(C=C1)CC)C(=O)OCC>>C(C)(=O)NC1=C(N(C(=C1)C#N)C1=CC=C(C=C1)CC)C(=O)OCC
5
[CH3:1][Si:2]([CH3:12])([CH3:11])[C:3]1[CH:10]=[CH:9][C:6]([CH:7]=O)=[CH:5][CH:4]=1.[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][NH2:22])=[CH:16][CH:15]=1>>[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][NH:22][CH2:7][C:6]2[CH:9]=[CH:10][C:3]([Si:2]([CH3:12])([CH3:11])[CH3:1])=[CH:4][CH:5]=2)=[CH:16][CH:15...
1
[CH3:1][O:2][C:3]([C@@H:5]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C@H:6]1[NH:11][CH2:10][CH2:9][CH2:8][CH2:7]1)=[O:4].Cl.C1C=C2C=CC3OP(O)(=O)OC4C=CC5C(C=4C=3C2=CC=1)=CC=CC=5.Cl>>[CH3:1][O:2][C:3]([C@@H:5]([C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1)[C@@H:6]1[NH:11][CH2:10][CH2:9][CH2:8][CH2:7]1)=[O:4]
1
BrCC(=O)OC(C)(C)C.OC1=C(C=C(C=CC(=O)OCC)C=C1)OC>>COC(C=CC1=CC(=C(C=C1)OCC(=O)OC(C)(C)C)OC)=O
5
[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C([C@@H](C)OCCC(C)(C)O)[C@]4(CC[C@@H]3[C@@]12C)C)O[Si](C)(C)C(C)(C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>O[C@H]1C[C@@H](CC2=CC=C3[C@@H]4CC=C([C@@H](C)OCCC(C)(C)O)[C@]4(CC[C@@H]3[C@@]12C)C)O
3
FC(F)(F)C(O)=O.[CH2:8]([O:12][C:13]1[N:21]=[C:20]2[C:16]([N:17]=[C:18]([O:22][CH3:23])[NH:19]2)=[C:15]([NH2:24])[N:14]=1)[CH2:9][CH2:10][CH3:11].C(=O)([O-])[O-].[K+].[K+].CS(O[CH2:36][CH2:37][CH:38]1[CH2:43][CH2:42][CH2:41][CH2:40][O:39]1)(=O)=O>CN(C=O)C>[CH2:8]([O:12][C:13]1[N:21]=[C:20]2[C:16]([N:17]=[C:18]([O:22][CH...
1
C1(=CC=CC=C1)OC(NC1=NOC(=C1)C(C)(C)C)=O.NC=1C=C(C=CC1F)O>CC#N.C1CCC2=NCCCN2CC1>C(C)(C)(C)C1=CC(=NO1)NC(=O)NC1=C(C=CC(=C1)O)F
3
N1(CCOCC1)C(=O)Cl.BrC1=CC2=C(OC(O2)(C2=C(C=CC=C2)F)C2=C(C=C(C=C2)Cl)Cl)C=C1F>>ClC1=C(C=CC(=C1)Cl)C1(OC2=C(O1)C=C(C(=C2)C(=O)N2CCOCC2)F)C2=C(C=CC=C2)F
5
CC1(C)C(C)(C)OB([C:9]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:10]=2[CH:11]=[CH:12][NH:13]3)O1.Br[C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([F:26])[C:21]=1[F:27].[OH-].[Na+]>O1CCCC1.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C...
1
N1=C(C=CC=2CCCNC12)CCCCC(/C=C/C=1C=NC2=CC(=CC=C2C1)C(F)(F)F)=O>>N1=C(C=CC=2CCCNC12)CCCCC(/C=C/C=1C=NC2=CC(=CC=C2C1)C(F)(F)F)O
5
ClC=1C=C2[C@](C(N(C2=CC1)C1=CC=C(C=C1)CC(=O)O)=O)(C)C=1C=C2CCC(OC2=CC1)(C)C>ClCCl.C(C(=O)Cl)(=O)Cl>ClC=1C=C2[C@](C(N(C2=CC1)C1=CC=C(C=C1)CN1N=NNC1=O)=O)(C)C=1C=C2CCC(OC2=CC1)(C)C
3
C(=O)(OC)C(CC(=O)O)=CC1=CC(=CC=C1)OC>[HH].[Pd]C.C(C)(=O)O>C(=O)(OC)C(CC(=O)O)CC1=CC(=CC=C1)OC
3
C[Li].[CH3:3][C:4]1[CH2:9][CH2:8][CH2:7][C:6](=[O:10])[CH:5]=1.CN(C)P(N(C)C)(N(C)C)=O.[C:22]([C:27]#N)(=[O:26])[O:23][CH2:24][CH3:25]>CCOCC.[Cu]I.O>[OH:10][C:6]1[CH2:7][CH2:8][CH2:9][C:4]([CH3:5])([CH3:3])[C:27]=1[C:22]([O:23][CH2:24][CH3:25])=[O:26]
1
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O>CO[H].Cl>C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([...
3
ClC1=CN=CC(=N1)N[C@@H](C)C=1C=C(C=CC1)NC(C1=CC(=CC(=C1)C(F)(F)F)[N+](=O)[O-])=O>O.CCO[H].[In].[Cl-].[NH4+]>NC=1C=C(C(=O)NC2=CC(=CC=C2)[C@H](C)NC2=NC(=CN=C2)Cl)C=C(C1)C(F)(F)F
3
[C:1]([O:8][CH2:9][CH2:10][O:11][C:12](=[O:18])[CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])(=[O:7])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[C:19](Cl)(=O)[CH2:20]CCCCCC.[CH2:29](O)[CH2:30]O.N1C=CN=C1>>[C:1]([O:8][CH2:9][CH2:10][O:11][C:12](=[O:18])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:29][CH3:30])(=[O:7])[CH2:2][CH2:3][...
1
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[C:5]2=O.[OH-].[K+].N1C2C(=CC=CC=2)C(=O)C1=[O:17].[F:26][C:27]([F:39])([F:38])[C:28]1[CH:29]=[C:30]([C:34](=O)[CH2:35][CH3:36])[CH:31]=[CH:32][CH:33]=1.Cl>C(O)C.O>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]=[C:34]([C:30]1[CH:31]=[CH:32][CH:33]=...
1
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5].C(C)C1(C=CC=C1)[Li].C(C)C1=CC=CC1>>C(C)C1(C=CC=C1)[TaH3]C1(C=CC=C1)CC
5
[H-].[Na+].[N+:3]([C:6]1[CH:11]=[C:10]([N+:12]([O-:14])=[O:13])[CH:9]=[CH:8][C:7]=1F)([O-:5])=[O:4].[CH2:16]1[CH2:20][O:19][CH2:18][CH2:17]1>>[N+:3]([C:6]1[CH:11]=[C:10]([N+:12]([O-:14])=[O:13])[CH:9]=[CH:8][C:7]=1[O:19][C:20]1[CH:16]=[CH:17][C:18]([N+:12]([O-:14])=[O:13])=[CH:7][C:6]=1[N+:3]([O-:5])=[O:4])([O-:5])=[O:...
1
COC1=NC(=CC=C1C(C#N)C(C)C)C1=CC2=CC=CC=C2C=C1>C1(=CC=CC=C1)C.N(=[N+]=[N-])[Si](C)(C)C.C(CCC)[Sn](CCCC)=O>COC1=NC(=CC=C1C(C(C)C)C1=NN=NN1)C1=CC2=CC=CC=C2C=C1
3
C(\C=C\C1=CC=CC=C1)(=O)O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(=O)(C=1NC=CN1)C=1NC=CN1>C(C)OC(CC(\C=C\C1=CC=CC=C1)=O)=O
3
C([N:3]([CH2:6]C)[CH2:4][CH3:5])C.[CH3:8][O:9][C:10]([C@@:12]1([CH3:22])[CH2:16]C[C@@H](C(O)=O)[C:13]1([CH3:21])[CH3:20])=[O:11].C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:30])C=CC=CC=1.[CH2:40]([OH:47])[C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1>C1(C)C=CC=CC=1.C1COCC1.C(OCC)(=O)C>[CH2:40]([O:47][C:6]([NH:3][C@@H:4]1[CH2:5][...
1
Cl.Cl.N1CCC(CC1)NC1=C(C=CC=C1)C(F)(F)F.C1(=CC=CC=C1)C1=CC=C(C=N1)NC(CC(=O)O)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>O=C(CC(=O)NC=1C=NC(=CC1)C1=CC=CC=C1)N1CCC(CC1)NC1=C(C=CC=C1)C(F)(F)F
3
C(C)(C)(C)OC(NCC=1C=C2C=CN=C(C2=CC1)N)=O>>Cl.NC1=NC=CC2=CC(=CC=C12)CN
5
C(=O)(O)[O-].[Na+].[CH3:6][C:7]1[O:11][N:10]=[C:9]([NH2:12])[CH:8]=1.[Br:13][CH2:14][C:15](Br)=[O:16]>ClCCl>[Br:13][CH2:14][C:15]([NH:12][C:9]1[CH:8]=[C:7]([CH3:6])[O:11][N:10]=1)=[O:16]
2
[CH3:1][N:2]1[C:7]([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[C:10]([N+:16]([O-])=O)[CH:9]=2)=[CH:6][C:5](=[N:19][C:20]2[C:25]([CH3:26])=[CH:24][C:23]([CH3:27])=[CH:22][C:21]=2[CH3:28])[N:4]([CH3:29])[C:3]1=[O:30].Cl>CO.[Pd]>[NH2:16][C:10]1[CH:9]=[C:8]([C:7]2[N:2]([CH3:1])[C:3](=[O:30])[N:4]([CH3:29])[C:5](=[N:19][C:...
1
[CH2:1]([O:8][C:9]([NH:11][C:12]1[C:13]([C:23]([O:25]CC)=[O:24])=[N:14][C:15]2[C:20]([CH:21]=1)=[CH:19][CH:18]=[C:17](Br)[CH:16]=2)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].[CH:36](B1OC(C)(C)C(C)(C)O1)=[CH2:37].CC(O)=O>O1CCOCC1.CC(C1C=C(C(C)C)C(C2C=CC=C(P(C3CCCCC3)C3CCCCC3)C=2)...
1
C([O:4][C@H:5]([CH2:10]Br)[CH2:6][C:7]([OH:9])=[O:8])(=O)C.[CH2:12]([N:14]([CH2:17][CH3:18])[CH2:15][CH3:16])[CH3:13]>O>[CH2:12]([N:14]([CH2:17][CH3:18])[CH2:15][CH3:16])[CH3:13].[O:4]1[CH2:10][C@@H:5]1[CH2:6][C:7]([OH:9])=[O:8]
1
[Na].Cl[C:3]1[N:8]=[C:7]([C:9]2[N:14]=[CH:13][CH:12]=[CH:11][N:10]=2)[N:6]=[C:5]([NH:15][S:16]([CH:19]=[CH:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)(=[O:18])=[O:17])[C:4]=1[O:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[O:34][CH3:35].Cl>C(O)C#C>[CH2:28]([O:27][C:3]1[N:8]=[C:7]([C:9]2[N:14]=[CH:13][CH:12]=[...
1
Br.Br[CH:3]1[C:14](=[O:15])[C:7]2[N:8]3N=C[N:11]=[C:9]3S[C:6]=2[CH2:5][CH2:4]1.NC1[CH:22]=[CH:21][CH:20]=[CH:19]N=1>C(O)C>[CH:19]1[N:8]2[C:9](=[N:11][C:6]3[CH2:5][CH2:4][CH2:3][C:14](=[O:15])[C:7]=32)[CH:22]=[CH:21][CH:20]=1
1
[I:1][C:2]1[C:10]2[C:9]([C:11]#[N:12])=[CH:8][CH:7]=[CH:6][C:5]=2[NH:4][N:3]=1.[CH2:13]1[CH2:18][O:17][CH:16]=[CH:15][CH2:14]1.CC1C=CC(S(O)(=O)=O)=CC=1>C1COCC1>[I:1][C:2]1[C:10]2[C:9]([C:11]#[N:12])=[CH:8][CH:7]=[CH:6][C:5]=2[N:4]([CH:16]2[CH2:15][CH2:14][CH2:13][CH2:18][O:17]2)[N:3]=1
1
BrC1=CC=C(C(=C1C(=O)OC)[N+](=O)[O-])NC(C)CC(=O)OCC>>BrC1=CC=C2NC(C(NC2=C1C(=O)OC)=O)(C)C
5
Cl[C:2]1[CH:11]=[C:10]2[C:5]([C:6]([C:12]3[CH:17]=[C:16]([CH3:18])[C:15]([F:19])=[C:14]([CH3:20])[CH:13]=3)=[N:7][CH:8]=[N:9]2)=[CH:4][CH:3]=1.[I-].[F:22][C:23]([F:28])([F:27])[CH2:24][CH2:25][Zn+]>C(O[Pd]OC(=O)C)(=O)C.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(N(C)C)=CC=CC=2N(C)C)CCCCC1.C1COCC1>[F:19][C:15]1[C:16]([CH3:18])=[CH:17]...
1
COC1=C(C(=O)C2=C(C(=O)OCC)C(=CC(=C2)OC)OC)C=C(C=C1OC)C>>COC1=C(C=C(C=C1OC)C)C1(OC(C2=C(C=C(C=C12)OC)OC)=O)O
5
O1C=NC=C1C1=NNC2=CC=C(C=C12)N.C(#N)C=1C(=CC(NC1C)C(=O)O)OC>c1ccncc1.CCN=C=NCCCN(C)C>C(#N)C=1C(=CC(=NC1C)C(=O)NC=1C=C2C(=NNC2=CC1)C1=CN=CO1)OC
3
C[O-].[Na+].[C:4]([O:8][CH3:9])(=[O:7])[CH2:5][SH:6].Cl[C:11]([C:15]1[CH:20]=[CH:19][N:18]=[CH:17][CH:16]=1)=[CH:12][C:13]#[N:14]>CO>[NH2:14][C:13]1[CH:12]=[C:11]([C:15]2[CH:20]=[CH:19][N:18]=[CH:17][CH:16]=2)[S:6][C:5]=1[C:4]([O:8][CH3:9])=[O:7]
1
C(C)(C)(C)OC(=O)N1CCC(CC1)C=1N(N=C2CCCCC12)CC(F)(F)F>C(=O)(C(F)(F)F)O>FC(CN1N=C2CCCCC2=C1C1CCNCC1)(F)F
3
COC1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C.FC(S(=O)(=O)OC1=NC=2C(C(C(N(C2C=C1)C(C)=O)C1CC1)C)NC1=CC=CC=C1)(F)F>>C1(CC1)[C@@H]1N(C2=CC=C(N=C2[C@@H]([C@H]1C)NC1=CC=CC=C1)C=1C=NC(=CC1)OC)C(C)=O
5
BrC=1C(NN=CC1Br)=O.COC1=C(C=CC=C1)[C@H]1[C@@H](C1)CN>>BrC=1C(NN=CC1NCC1C(C1)C1=C(C=CC=C1)OC)=O
5
C1(=CC=CC=C1)SC1=CC=CC=C1.ClC=1N=C(NC1C(=O)NCC1=C(C(=C(C=C1)Cl)OC1=NC(=CC(=C1)C#N)C=C)F)C>CO[H].[HH].C(C)(=O)OCC.[Pd]>ClC=1N=C(NC1C(=O)NCC1=C(C(=C(C=C1)Cl)OC1=NC(=CC(=C1)C#N)CC)F)C
3
C([N:8]1[CH2:17][CH2:16][C:15]2[N:14]=[C:13]([Cl:18])[CH:12]=[CH:11][C:10]=2[CH2:9]1)C1C=CC=CC=1.[CH3:19][NH:20][CH2:21][CH2:22][CH3:23]>>[ClH:18].[CH3:19][N:20]([CH2:21][CH2:22][CH3:23])[C:13]1[CH:12]=[CH:11][C:10]2[CH2:9][NH:8][CH2:17][CH2:16][C:15]=2[N:14]=1
2
N1CCC(CC1)CCCO.O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)F)=O)=O>CS(=O)C.C(C)(C)N(C(C)C)CC>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)N1CCC(CC1)CCCO)=O)=O
3
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]2[CH2:7][C:8]3[CH:14]=[C:13]([CH2:15][C:16](=[O:18])[CH3:17])[CH:12]=[CH:11][C:9]=3[O:10][C:2]=12.C1(C)C=CC(S(O[CH2:29][CH2:30][O:31][CH3:32])(=O)=O)=CC=1>[Na].C(O)(C)C>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]2[CH2:7][C:8]3[CH:14]=[C:13]([CH:15]([CH2:29][CH2:30][O:31][CH3:32])[C:16](=[O:18])[CH3:1...
1
BrCC=C(C)C.C(C)OC(=O)C1CN(CCC1)C(=O)OCC1=CC=CC=C1>>CC(=CCC1(CN(CCC1)C(=O)OCC1=CC=CC=C1)C(=O)OCC)C
5
O\N=C(\CCCC1=NC=2NCCCC2C=C1)/N.C1CCC2(C1)CC(=O)OC(=O)C2>O1CCOCC1>N1=C(C=CC=2CCCNC12)CCCC1=NOC(=N1)CC1(CCCC1)CC(=O)O
3
[CH2:1]([O:3][C:4]([C:6]1[C:11](Br)=[CH:10][CH:9]=[C:8]([CH:13]2[CH2:15]C2)[N:7]=1)=[O:5])[CH3:2].[NH2:16][C:17]1[CH:18]=[N:19][CH:20]=[N:21][CH:22]=1>[Pd]>[CH2:1]([O:3][C:4]([C:6]1[C:11]([NH:16][C:17]2[CH:18]=[N:19][CH:20]=[N:21][CH:22]=2)=[CH:10][CH:9]=[C:8]([CH2:13][CH3:15])[N:7]=1)=[O:5])[CH3:2]
1
[Cl:1][C:2]1[C:12]2[CH2:11][CH2:10][CH2:9][C:8]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)=[C:7]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]O)[C:6]=2[CH:5]=[CH:4][C:3]=1[OH:26].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(Br)(Br)(Br)[Br:47]>>[Br:47][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][C:7]1[C:6]2[CH:5...
2
[CH3:1][C:2]1[N:3]=[C:4]([C:16]2[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=2)[S:5][C:6]=1B1OC(C)(C)C(C)(C)O1.C(=O)([O-])[O-].[Cs+].[Cs+].I[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][C:34]=1[CH3:39].COCCOC>C(Cl)Cl.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)C2...
2
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([C:12]2[CH:17]=[CH:16][C:15]([CH2:18][CH2:19][NH:20][C:21](=[O:26])[C:22]([F:25])([F:24])[F:23])=[CH:14][CH:13]=2)(=[O:11])=[O:10])=[CH:5][C:4]=1[CH2:27][C:28]([O:30][CH3:31])=[O:29].B(Br)(Br)Br>ClCCl>[OH:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([C:12]2[CH:17]=[CH:16][C:15]([CH2:18][CH2:19]...
2
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]([CH3:17])([CH3:16])[CH2:9][C:10](=[O:15])[C:11]([F:14])([F:13])[F:12].[BH4-].[Na+]>CO.C1COCC1>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]([CH3:17])([CH3:16])[CH2:9][CH:10]([OH:15])[C:11]([F:13])([F:14])[F:12]
1
N=1N(N=CC1)C=1C=C(C=CC1)NC1=NC(=NC(=C1C#N)OC)N[C@H]1[C@H](CCCC1)NC(OC(C)(C)C)=O>O(O[H])[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>N=1N(N=CC1)C=1C=C(C=CC1)NC1=NC(=NC(=C1C(N)=O)OC)N[C@H]1[C@H](CCCC1)NC(OC(C)(C)C)=O
3
C(C)(=O)OC(C)=O.CN(C)CC1=C2CC(N=C(C2=C2C(=C1O)OC(C2)(C)C)C2=CC=CC=C2)(C)C>>C(C)(=O)OC=1C(=C2CC(N=C(C2=C2C1OC(C2)(C)C)C2=CC=CC=C2)(C)C)CN(C)C
5
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]3[CH:14]=[C:15]([C:18]4[O:22][C:21]([SH:23])=[N:20][N:19]=4)[CH:16]=[CH:17][C:12]=3[N:11]=[CH:10]2)=[CH:5][CH:4]=1.Br[CH2:25][C:26]1[CH:27]=[C:28]([CH:31]=[CH:32][CH:33]=1)[C:29]#[N:30]>>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]3[CH:14]=[C:15]([C:18]4[O:22][C:21]...
1
[O:1]=[C:2]1[NH:10][C:5]2=[N:6][CH:7]=[CH:8][CH:9]=[C:4]2[C@:3]21[CH2:24][C:13]1[CH:14]=[C:15]3[C:20](=[CH:21][C:12]=1[CH2:11]2)[N:19]=[CH:18][C:17]([CH:22]=[O:23])=[CH:16]3.[BH4-].[Na+]>CO.C(Cl)Cl>[NH4+:6].[OH-:1].[OH:23][CH2:22][C:17]1[CH:18]=[N:19][C:20]2[C:15]([CH:16]=1)=[CH:14][C:13]1[CH2:24][C@:3]3([CH2:11][C:12]...
1
COC1=CC=C(C=C1)C(C(=O)OCC)=O>>O\N=C(/C(=O)OCC)\C1=CC=C(C=C1)OC
5
C[Si](C)(C)Cl.O=C(CCC(=O)OC)\C=C\C1=CC=CC=C1>C(C)OCC.C1CCC2=NCCCN2CC1>C1(=CC=CC=C1)C=CC(=CC(C(=O)OC)O)[Si](C)(C)C
3
[C:1]1([CH:7]=[C:8]2[C:13](=[O:14])[C:12](=[CH:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH2:11][S:10][CH2:9]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:22][C:23]1[S:24][CH2:25][CH2:26][N:27]=1>CC(C)=O>[S:24]1[CH2:25][CH2:26][N:27]=[C:23]1[NH:22][C:13]1([OH:14])[C:8](=[CH:7][C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]...
1
ClC=1C=CC(=C(CN2C=CC=3C(=CC=CC23)C(=O)OC)C1)OCC1=C(C=C(C=C1)Cl)CC>CCO[H].[OH-].[Na+]>ClC=1C=CC(=C(CN2C=CC=3C(=CC=CC23)C(=O)O)C1)OCC1=C(C=C(C=C1)Cl)CC
3
C(C1=CC=CC=C1)C1(C(C=2NC3=CC=C(C(=C3C2CC1)Cl)Cl)=O)Br>>C(C1=CC=CC=C1)C1=C(C=2NC3=CC=C(C(=C3C2C=C1)Cl)Cl)O
5
S(=O)(=O)(OC)OC.C1=C(C=CC2=CC=C(C=C12)O)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>COC1=CC2=CC(=CC=C2C=C1)OC
3
C(C)(C)(C)OC(=O)C=1C(=CC=C(C1)C=1SC=CC1C(N)=O)C1=CC=C(C=C1)C1(CC1)C(=O)OCC>N(C)(C)C=O.ClN1C(CCC1=O)=O>C(C)(C)(C)OC(=O)C=1C(=CC=C(C1)C=1SC(=CC1C(N)=O)Cl)C1=CC=C(C=C1)C1(CC1)C(=O)OCC
3
[NH:1]1[CH2:6][CH2:5][CH:4]([CH2:7][OH:8])[CH2:3][CH2:2]1.CCN(C(C)C)C(C)C.[CH:18]([O:21][C:22](Cl)=[O:23])([CH3:20])[CH3:19]>C(Cl)Cl.C1(C)C=CC=CC=1>[CH:18]([O:21][C:22]([N:1]1[CH2:6][CH2:5][CH:4]([CH2:7][OH:8])[CH2:3][CH2:2]1)=[O:23])([CH3:20])[CH3:19]
2
[NH2:1][C@H:2]([C:23]([O:25]CC1C=CC=CC=1)=[O:24])[CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]([S:13]([C:16]2[CH:22]=[CH:21][C:19]([CH3:20])=[CH:18][CH:17]=2)(=[O:15])=[O:14])[CH:5]=1>C(O)(=O)C>[NH2:1][C@H:2]([C:23]([OH:25])=[O:24])[CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]([S:13]([...
1
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C:10]([NH:18][C:19]([O:21][CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[O:20])([C:13]([F:17])([F:16])[CH:14]=C)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[O:29]=[O+][O-].[BH4-].[Na+].C(=O)(O)[O-].[Na+].[Cl-].[Na+]>C(Cl)(Cl)Cl.CO>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C...
1
N1(CCC1)C(=O)C1=CC2=NC=CC(=C2S1)Cl.COC(CC1=C(C=C(C=C1)O)Cl)=O>>COC(CC1=C(C=C(C=C1)OC1=C2C(=NC=C1)C=C(S2)C(=O)N2CCC2)Cl)=O
5
C1(CCCCC1)C=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C(F)(F)F)(C)C>C1(CCCCC1)C(C(F)(F)F)O
3
[H-].[Na+].[CH3:3][C:4]([CH3:8])=[CH:5][CH2:6][OH:7].Br[CH2:10][C:11]1[N:16]=[C:15]([NH2:17])[N:14]=[C:13]([NH2:18])[C:12]=1[C:19]1[CH:24]=[CH:23][C:22]([NH:25][CH2:26][C:27]2[CH:32]=[CH:31][C:30]([S:33]([CH3:36])(=[O:35])=[O:34])=[CH:29][CH:28]=2)=[CH:21][CH:20]=1.CN1C(=O)N(C)CCC1>C1COCC1.O>[CH3:3][C:4]([CH3:8])=[CH:5...
2
[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[CH:14]=[CH:13][C:12]([CH2:15][N:16]2[C:20]([CH2:21][OH:22])=[C:19]([Cl:23])[N:18]=[C:17]2[CH2:24][CH2:25][CH2:26][CH3:27])=[CH:11][CH:10]=1)#[N:2].[CH3:28][Sn:29]([N:32]=[N+:33]=[N-:34])([CH3:31])[CH3:30]>>[CH3:28][Sn:29]([N:32]1[C:1]([C:3]2[CH:8]=[CH:7][CH:6]=[CH:5][...
1
C(=C)[B-](F)(F)F.[K+].BrC=1C=C2C=NC(=NC2=CC1)N1CC2(COC2)C1>O.O1CCOCC1.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]>C(=C)C=1C=C2C=NC(=NC2=CC1)N1CC2(COC2)C1
3
C(C1=CC=CC=C1)OC(NCCC=1OC(=CN1)CC)=O>CO[H].[HH].[Pd]>C(C)C1=CN=C(O1)CCN
3
ClC=1C=CC(=C(C1)C=1C=C(C=2OCCN(C2N1)C(=O)OC(C)(C)C)NC1=C(C=NC=C1)C(NCCN1CCN(CC1)C)=O)F>CO[H].ClCCl.C(=O)(C(F)(F)F)O>ClC=1C=CC(=C(C1)C=1C=C(C=2OCCNC2N1)NC1=C(C=NC=C1)C(=O)NCCN1CCN(CC1)C)F
3
[Cl:1][C:2]1[CH:3]=[C:4]([CH:27]=[CH:28][C:29]=1[O:30][CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[CH:33]=1)[NH:5][C:6]1[C:15]2[C:10](=[CH:11][C:12]([O:22][CH2:23][CH2:24][CH2:25]Cl)=[CH:13][C:14]=2[O:16][CH:17]2[CH2:21][CH2:20][CH2:19][CH2:18]2)[N:9]=[CH:8][N:7]=1.[CH3:39][O:40][CH2:41][CH2:42][NH:43][CH3:44]>...
2
CN[C:3](=[O:10])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.C([Li])(C)(C)C.[CH2:16]([O:23][C:24]([N:26]1[CH2:31][CH2:30][C:29](=[O:32])[CH2:28][CH2:27]1)=[O:25])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>O1CCCC1>[CH2:16]([O:23][C:24]([N:26]1[CH2:31][CH2:30][C:29]2([C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3](=[O:10]...
1
[Cl:1][C:2]1[CH:3]=[N:4][N:5]([CH3:27])[C:6]=1[C:7]1[CH:8]=[C:9]([NH:14][C:15](=[O:26])[C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:24])[F:23])[CH:17]=2)[CH:10]=[CH:11][C:12]=1[OH:13].C(=O)([O-])[O-].[K+].[K+].Br[CH2:35][C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=[O:37]>CC(C)=O>[Cl:1][C:2]1[CH:3]=[N:4][N...
1
[C:1]([O:5][C:6](=[O:34])[CH2:7][O:8][C:9]1[C:14]([CH3:15])=[CH:13][C:12]([C:16]2[O:17][C:18]3[N:19]=[C:20](S(C)(=O)=O)[N:21]=[C:22]([CH2:25][CH:26]([CH3:28])[CH3:27])[C:23]=3[N:24]=2)=[CH:11][C:10]=1[CH3:33])([CH3:4])([CH3:3])[CH3:2].[F:35][C:36]([F:41])([F:40])[CH2:37][CH2:38][OH:39]>>[CH2:25]([C:22]1[C:23]2[N:24]=[C...
2
[N:1](OCCC(C)C)=O.[CH2:9]([O:11][C:12](=[O:35])[C@@H:13]([CH2:20][C:21]1[CH:26]=[C:25]([Br:27])[C:24]([NH2:28])=[C:23]([CH3:29])[C:22]=1[CH2:30][O:31][C:32](=[O:34])[CH3:33])[CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH3:10].C([O-])(=O)C.[K+]>C(O)(=O)C.C1(C)C=CC=CC=1>[CH2:9]([O:11][C:12](=[O:35])[C@@H:13]([CH2:20][...
1
C(C)(C)(C)[Si](C)(C)Cl.C1=CC=CC=2C3=CC=CC=C3N(C12)CC(CNCC=1OC=CC1)O>>[Si](C)(C)(C(C)(C)C)OC(CNCC=1OC=CC1)CN1C2=CC=CC=C2C=2C=CC=CC12
5
[N+](=O)([O-])C1=NN(C=C1)C1COCCC1>CCO[H].[HH].[Pd]>O1CC(CCC1)N1N=C(C=C1)N
3
[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([O:16][CH2:17][CH3:18])=[O:15])=[CH:11][CH:12]=2)[CH:7]([NH:19]C(OCC2C=CC=CC=2)=O)[CH:6]([CH3:30])[CH:5]1[CH:31]1[CH2:33][CH2:32]1)(=[O:3])[CH3:2].C(N1C2C(=CC(C(NC)=O)=CC=2)C(N)C(C)C1CC)(=O)C>C(O)C.[Pd]>[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([O:16][CH2:17][CH3:18])=[...
2
Cl[C:2]1[C:3]([O:5][C:6](=[O:8])[CH:7]=1)=[O:4].[Cl:9][C:10]1=[C:11](Cl)[C:12](O[C:15]1=O)=O.C=CC(Cl)=C.Cl>C1C2NC3C(=CC=CC=3)SC=2C=CC=1.ClC1C=CC=CC=1.O>[Cl:9][C:10]1[CH2:15][C:7]2[C:6](=[O:8])[O:5][C:3](=[O:4])[C:2]=2[CH2:12][CH:11]=1
1
[O-:1]P([O-])([O-])=O.[K+].[K+].[K+].[CH3:9]/[CH:10]=[CH:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15]/[CH:16]=[CH:17]/[C:18](NCC(C)C)=[O:19]>>[C:18]([OH:19])(=[O:1])[CH:17]=[CH:16][CH2:15][CH2:14][CH:13]=[CH:12][CH:11]=[CH:10][CH3:9]
1