HRID171902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9480

Benzenamine, 3,5-bis(trifluoromethyl)-

C8H5F6N

结构：COC(=O)C(CC(C)C)c1cc(OS(=O)(=O)C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID57754914

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)c1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID57755001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d5e4635f7e6445a8ad43593e9d9b3d0
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

[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11](-[c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[cH:12][c:13]([O:15][S:16]([C:17]([F:18])([F:19])[F:20])(=[O:21])=[O:22])[cH:14]1)=[O:37].[F:38][C:39]([c:40]1[cH:41][c:42]([NH2:43])[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11](-[c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[cH:12][c:13]([NH:43][c:42]2[cH:41][c:40]([C:39]([F:38])([F:51])[F:52])[cH:46][c:45]([C:47]([F:48])([F:49])[F:50])[cH:44]2)[cH:14]1)=[O:37]