HRID1117301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID7972

4-Methylmorpholine

C5H11NO

HCID2761057

4-Bromo-2-(methylsulfonyl)benzoic acid

C8H7BrO4S

HCID67381020

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C)ccc1N1CCN(C(=O)c2ccc(Br)cc2S(C)(=O)=O)CC1

HCID58484563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b22d9b364a964b4e87364b8510fe6969
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

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