HRID2334928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID719818

2,5-Bis(trifluoromethyl)aniline

C8H5F6N

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

HCID57754925

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)c1cc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)cc(-c2cc(F)cc(C(F)(F)F)c2)c1

HCID57755030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f37f37699a95471f86748ccef0f8b0e5
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

[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:30]([F:31])([F:32])[F:33])[cH:26][c:27]([F:29])[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:34].[F:35][C:36]([c:37]1[c:38]([NH2:39])[cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]1)([F:48])[F:49]>>[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:30]([F:31])([F:32])[F:33])[cH:26][c:27]([F:29])[cH:28]2)[cH:12][c:13]([NH:39][c:38]2[c:37]([C:36]([F:35])([F:48])[F:49])[cH:43][cH:42][c:41]([C:44]([F:45])([F:46])[F:47])[cH:40]2)[cH:14]1)=[O:34]