HRID673387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID9447

Benzoic acid, 5-chloro-2-hydroxy-

C7H5ClO3

结构：COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1

HCID85542

N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide

C16H17ClN2O4S

HCID118574

Methyl 5-chloro-o-anisate

C9H9ClO3

PRODUCTS

生成物

HCID118575

5-Chloro-2-methoxy-N-(2-phenylethyl)benzamide

C16H16ClNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5399bfb77af048d98cd77cab539be16f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:49]([NH2:50])[CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:36][O:37][C:38](=[O:39])[c:40]1[cH:41][c:42]([Cl:43])[cH:44][cH:45][c:46]1[O:47][CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:23][CH3:24])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([S:18]([NH2:19])(=[O:20])=[O:21])[cH:16][cH:17]2)[cH:22]1.[OH:25][C:26]([c:27]1[c:28]([OH:29])[cH:30][cH:31][c:32]([Cl:33])[cH:34]1)=[O:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:23][CH3:24])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:22]1