HRID1144861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID57468817

未命名化合物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(Cl)c2)c1

HCID86615445

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)c1

HCID68697158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22d7db98ca5949c9a87ee90f5be0636c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]1[s:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[cH:11][c:12]([CH3:14])[cH:13]2)[cH:7]1>>[c:2]1(-[c:35]2[s:34][c:33]([S:30]([NH:29][C:25]([CH3:26])([CH3:27])[CH3:28])(=[O:31])=[O:32])[cH:37][cH:36]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[cH:11][c:12]([CH3:14])[cH:13]2)[cH:7]1