HRID56914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID233272

Benzoic acid, 4-amino-, 1,1-dimethylethyl ester

C11H15NO2

结构：N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(CCOC(F)(F)F)C(=O)O)cc1Cl

HCID117622890

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(NC(=O)C(CCOC(F)(F)F)n2cc(Cl)c(-c3cc(Cl)ccc3C#N)cc2=O)cc1

HCID117622888

未命名化合物

PROCEDURE

实验过程

237 mg (purity 84%, 0.46 mmol) of 2-[5-chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridin-1(2H)-yl]-4-(trifluoromethoxy)butanoic acid (racemate) and 97 mg (0.50 mmol, 1.1 eq.) of tert-butyl 4-aminobenzoate were reacted according to General Method 5A. Yield: 142 mg (purity 81%, 41% of theory)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca12189155d743499f73881061229dcc
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09434690B2
来源说明: uspto-grants-2016_09

反应 SMILES

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