HRID144017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)NS(=O)(=O)c1cnc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1

HCID60209468

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cnc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1

HCID57469031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b14143c79cb843f3806547d94b51cfad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][n:11][c:12](-[c:14]2[n:15][cH:16][n:17](-[c:19]3[n:20][c:21](-[c:29]4[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]4)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]3)[cH:18]2)[s:13]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][n:11][c:12](-[c:14]2[n:15][cH:16][n:17](-[c:19]3[n:20][c:21](-[c:29]4[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]4)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]3)[cH:18]2)[s:13]1