HRID135954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID13769456

2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

C10H7ClF3N3O2

结构：CC(Br)C(=O)NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2

HCID15611041

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2cc(OC(C)C(=O)NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)c(Cl)cc2F)c(=O)n1C(F)F

HCID20139698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cd86a6e4f864e60978bedeb850b8c53
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:20](=[O:21])([O-:22])[O-:23].[CH3:26][C:27]1([CH3:45])[O:28][c:29]2[c:30]([cH:32][c:33]([S:36](=[O:37])(=[O:38])[NH:39][C:40]([CH:41]([CH3:42])[Br:43])=[O:44])[cH:34][cH:35]2)[CH2:31]1.[CH3:46][C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:6][c:7]1[OH:8].[K+:24].[K+:25]>>[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:6][c:7]1[O:8][CH:41]([C:40]([NH:39][S:36]([c:33]1[cH:32][c:30]2[c:29]([cH:35][cH:34]1)[O:28][C:27]([CH3:26])([CH3:45])[CH2:31]2)(=[O:37])=[O:38])=[O:44])[CH3:42]