HRID1131732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

HCID19887795

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)C(Cl)COCc1ccccc1)OCc1ccccc1

HCID22561438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f24a7ca450c24e42b9713c5405d27c57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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