HRID297404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID737360

4-(Difluoromethoxy)benzoic acid

C8H6F2O3

HCID123775016

未命名化合物

PRODUCTS

产物

HCID123939311

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[4-(difluoromethoxy)benzoyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

C29H24F9N3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d73ea852e3cc40869b326e6dc220d7e7
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

[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH2:20][NH:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33].[F:34][CH:35]([O:36][c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[OH:43])[cH:44][cH:45]1)[F:46]>>[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH2:20][N:21]([C:41]([c:40]3[cH:39][cH:38][c:37]([O:36][CH:35]([F:34])[F:46])[cH:45][cH:44]3)=[O:42])[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]