HRID1119159

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：FC(F)c1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(Cl)c2)n1

HCID86624633

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)F)n3)ccn2)s1

HCID67393368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9be1935bbc8e419282771f01623123c3
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](-[c:17]3[cH:18][n:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:11][c:12]([CH:14]([F:15])[F:16])[n: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](-[c:17]3[cH:18][n:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:11][c:12]([CH:14]([F:15])[F:16])[n:13]2)[cH:7]1