HRID90288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

2 次

结构：Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

HCID564157

1,4,7-Tris(4-methylbenzene-1-sulfonyl)-1,4,7-triazonane

C27H33N3O6S3

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

HCID10906262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-088cce6172eb426c9fccc13d230ba2b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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