HRID602993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：CC(C)(F)C(c1cc(F)cc(C(=O)O)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

HCID67055386

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)c1cc(F)cc(C(C2CN(C(c3ccc(Cl)cc3)c3cccc(C#N)c3)C2)C(C)(C)F)c1

HCID67055390

未命名化合物

PROCEDURE

实验过程

Prepared from 3-(1-{1-[(4-chlorophenyl)(3-cyanophenyl)methyl]azetidin-3-yl}-2-fluoro-2-methylpropyl)-5-fluorobenzoic acid and isopropanol according to the procedure described in Preparation 21; Mass Spectrum: m/e=537 (M+1, 35Cl), 539 (M+1, 37Cl).

WORKUP

后处理

customdescribed in Preparation 21

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a31616d83fc845cda773236498c3425c
来源数据集: uspto-grants-2011_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07906652B2
来源说明: uspto-grants-2011_03

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([C:34]#[N:35])[CH:29]=2)[N:9]2[CH2:12][CH:11]([CH:13]([C:18]3[CH:19]=[C:20]([CH:24]=[C:25]([F:27])[CH:26]=3)[C:21]([OH:23])=[O:22])[C:14]([F:17])([CH3:16])[CH3:15])[CH2:10]2)=[CH:4][CH:3]=1.[CH:36](O)([CH3:38])[CH3:37]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([C:34]#[N:35])[CH:29]=2)[N:9]2[CH2:12][CH:11]([CH:13]([C:18]3[CH:19]=[C:20]([CH:24]=[C:25]([F:27])[CH:26]=3)[C:21]([O:23][CH:36]([CH3:38])[CH3:37])=[O:22])[C:14]([F:17])([CH3:16])[CH3:15])[CH2:10]2)=[CH:6][CH:7]=1