HRID684415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID6329

Methylamine

CH5N

HCID24386

Thionyl chloride

Cl2OS

HCID64928

Clofop

C15H13ClO4

2 次

PRODUCTS

生成物

HCID12952826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b36a857583684f34b387f187a003c7f0
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

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