HRID2344411

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

反应SMILES：Cc1nn(-c2cc(O)c(Cl)cc2F)c(=O)n1C(F)F

HCID13769456

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

C10H7ClF3N3O2

反应SMILES：CC(Br)C(=O)NS(=O)(=O)c1cccc2c1OC(C)(C)C2

HCID15611040

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nn(-c2cc(OC(C)C(=O)NS(=O)(=O)c3cccc4c3OC(C)(C)C4)c(Cl)cc2F)c(=O)n1C(F)F

HCID15611068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7b6fc26ffd0441dc898c77adb47a522b
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

[C:40](=[O:41])([O-:42])[O-:43].[CH3:20][C:21]1([CH3:39])[O:22][c:23]2[c:24]([cH:26][cH:27][cH:28][c:29]2[S:30](=[O:31])(=[O:32])[NH:33][C:34]([CH:35]([CH3:36])[Br:37])=[O:38])[CH2:25]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+:44].[K+:45]>>[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:35]([C:34]([NH:33][S:30]([c:29]1[c:23]2[c:24]([cH:26][cH:27][cH:28]1)[CH2:25][C:21]([CH3:20])([CH3:39])[O:22]2)(=[O:31])=[O:32])=[O:38])[CH3:36]