HRID1161362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2779488

4-AMINO-3-TRIFLUOROMETHYLBENZONITRILE

C8H5F3N2

结构：COc1ccc(-c2nc3cc(F)c(F)cc3n2C(C(=O)O)C2CCCCC2)c(OC)n1

HCID66619285

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc3cc(F)c(F)cc3n2C(C(=O)Nc2ccc(C#N)cc2C(F)(F)F)C2CCCCC2)c(OC)n1

HCID68645289

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to example 22, int. d) from cyclohexyl-[2-(2,6-dimethoxy-pyridin-3-yl)-5,6-difluoro-benzoimidazol-1-yl]-acetic acid and 4-amino-3-trifluoromethylbenzonitrile. The crude product was purified on a preparative HPLC system (Phenomenex Gemini column) using a gradient of acetonitrile and water (containing 0.5% formic acid). Light brown foam (19%). MS (TS) (M+H+)+: 600.3.

WORKUP

后处理

customThe crude product was purified on a preparative HPLC system (Phenomenex Gemini column)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-526c20c5c8aa47758aca5fba5aa38393
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07816540B2
来源说明: uspto-grants-2010_10

反应 SMILES

[CH:1]1([CH:7]([N:11]2[C:15]3[CH:16]=[C:17]([F:21])[C:18]([F:20])=[CH:19][C:14]=3[N:13]=[C:12]2[C:22]2[C:23]([O:30][CH3:31])=[N:24][C:25]([O:28][CH3:29])=[CH:26][CH:27]=2)[C:8]([OH:10])=O)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[NH2:32][C:33]1[CH:40]=[CH:39][C:36]([C:37]#[N:38])=[CH:35][C:34]=1[C:41]([F:44])([F:43])[F:42]>>[C:37]([C:36]1[CH:39]=[CH:40][C:33]([NH:32][C:8](=[O:10])[CH:7]([CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[N:11]2[C:15]3[CH:16]=[C:17]([F:21])[C:18]([F:20])=[CH:19][C:14]=3[N:13]=[C:12]2[C:22]2[C:23]([O:30][CH3:31])=[N:24][C:25]([O:28][CH3:29])=[CH:26][CH:27]=2)=[C:34]([C:41]([F:42])([F:43])[F:44])[CH:35]=1)#[N:38]