HRID191396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(-c2ccc(Cl)cc2)nc(-n2cnc(I)c2)n1

HCID57468783

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(-n2cnc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)n1

HCID57468939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d7bf4bd0b904bb29ddef126c9c3ea63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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