HRID1238687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6329

Methylamine

CH5N

HCID6344

Dichloromethane

CH2Cl2

反应SMILES：O=Cc1cn(CC(=O)Nc2sc3c(c2C(=O)NCCO)CCCC3)nc1C(F)(F)F

HCID59520481

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

产物

反应SMILES：CNCc1cn(CC(=O)Nc2sc3c(c2C(=O)NCCO)CCCC3)nc1C(F)(F)F

HCID24967423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b068aeee6ca747a9bbd39bb9099c79a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:31][NH2:32].[CH3:33][C:34](=[O:35])[OH:36].[CH:1](=[O:2])[c:3]1[c:4]([C:27]([F:28])([F:29])[F:30])[n:5][n:6]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[c:13]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][OH:26])[c:14]3[c:15]([s:16]2)[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:7]1.[Cl:39][CH2:40][Cl:41].[H:37][H:38]>>[CH2:1]([c:3]1[c:4]([C:27]([F:28])([F:29])[F:30])[n:5][n:6]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[c:13]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][OH:26])[c:14]3[c:15]([s:16]2)[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:7]1)[NH:32][CH3:31]