HRID2349428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7396

Benzenesulfonyl chloride, 4-bromo-

C6H4BrClO2S

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCN

HCID18184232

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCNS(=O)(=O)c1ccc(Br)cc1

HCID18184190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-052e77c10c7f4558be056a6d513995c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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