HRID308202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24386

Thionyl chloride

Cl2OS

HCID10057937

4,4,4-trifluoro-2,2-dimethylbutanoic acid

C6H9F3O2

结构：NC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

HCID72290868

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(F)(F)F)C(=O)NC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

HCID74065244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06a3b9f53c5a4538aa2d7057c1711be6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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