HRID2322738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID16785149

未命名化合物

HCID21097497

未命名化合物

HCID57501467

未命名化合物

PRODUCTS

产物

HCID21097438

2-(4-tert-butyl-3-chlorophenoxy)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]acetamide

C21H27ClN2O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f96221addc142a7a55ed21405bec1de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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