HRID696520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(-c2ccc(Cl)cc2)nc(-c2cccc(Br)c2)n1

HCID57468761

未命名化合物

结构：CC(C)(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1

HCID57468817

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(Cl)cc2)nc(-c2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)n1

HCID57468910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2138bab4c51a4841929c2fc2cc6562e7
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

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