HRID2125332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID57468791

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)c(C)c2)nc(-c2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)n1

HCID57469056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd7368c400044c5a8f18bda118258ca4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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