HRID952718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID75452

4-Methoxybenzylamine

C8H11NO

HCID86625615

未命名化合物

PRODUCTS

产物

HCID68703155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-da6c3670e0dd41b2b3ec7c2c2ecdc19c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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