HRID104975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(Br)c3)n2)ccc1C(F)(F)F

HCID57468766

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(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(S(=O)(=O)NC(C)(C)C)s4)c3)n2)ccc1C(F)(F)F

HCID57468972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc3e14601c854951b59ebe67097b91b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([C:25]([F:26])([F:27])[F:28])[cH:11][c:12](-[c:14]3[cH:15][c:16]([CH3:24])[c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:13]2)[cH:5][cH:6][cH:7]1.[C:29]([CH3:30])([CH3:31])([CH3:32])[NH:33][S:34](=[O:35])(=[O:36])[c:37]1[s:38][c:39]([B:42]2[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]2)[cH:40][cH:41]1>>[c:2]1(-[c:39]2[s:38][c:37]([S:34]([NH:33][C:29]([CH3:30])([CH3:31])[CH3:32])(=[O:35])=[O:36])[cH:41][cH:40]2)[cH:3][c:4](-[c:8]2[n:9][c:10]([C:25]([F:26])([F:27])[F:28])[cH:11][c:12](-[c:14]3[cH:15][c:16]([CH3:24])[c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:13]2)[cH:5][cH:6][cH:7]1