HRID96449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

HCID178508427

未命名化合物

PRODUCTS

产物

HCID54567547

2-(4-Chlorobenzoylamino)-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-2-thiazoline

C14H5ClF10N2OS

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f98a1778df50431a976762ea46b3a252
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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