HRID2328970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2cnc(I)c2)n1

HCID57468784

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：CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)cn2)s1

HCID60209429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54def5e3ab5b4cbf881af6f004b03aff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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