HRID1138534

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：COc1cc(-c2cc(C)nc(-c3ccnc(Cl)c3)c2)ccc1C(F)(F)F

HCID86615448

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cc(C)nc(-c3ccnc(-c4ccc(S(=O)(=O)NC(C)(C)C)s4)c3)c2)ccc1C(F)(F)F

HCID24759949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a0d3454efc84c939f2eb6cd5caef48d
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:27]([CH3:28])([CH3:29])([CH3:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]1[s:36][c:37]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:38][cH:39]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([CH3:26])[cH:11][c:12](-[c:14]3[cH:15][c:16]([O:24][CH3:25])[c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[cH:13]2)[cH:7]1>>[c:2]1(-[c:37]2[s:36][c:35]([S:32]([NH:31][C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:33])=[O:34])[cH:39][cH:38]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([CH3:26])[cH:11][c:12](-[c:14]3[cH:15][c:16]([O:24][CH3:25])[c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[cH:13]2)[cH:7]1