HRID2151418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(-c2ccc(Cl)cc2)nc(-c2ccnc(Cl)c2)n1

HCID57468762

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(-c2ccnc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)n1

HCID60209436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ca393271a904252b75bc0bb3bb66dbc
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

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