HRID94283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl Acetate

C4H8O2

HCID11952

Phenacylamine

C8H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID66744527

未命名化合物

PRODUCTS

产物

HCID66745451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b69cfdcf5b4446ec917cce597b379146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:42][CH2:43][Cl:44].[ClH:1].[NH2:12][c:13]1[c:14]([C:30](=[O:31])[OH:32])[n:15][c:16]([N:19]2[CH2:20][CH2:21][N:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[CH2:23][CH2:24]2)[cH:17][n:18]1.[NH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:56]>>[NH:2]([CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:30]([c:14]1[c:13]([NH2:12])[n:18][cH:17][c:16]([N:19]2[CH2:20][CH2:21][N:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[CH2:23][CH2:24]2)[n:15]1)=[O:31]