HRID602988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67055335

未命名化合物

结构：CCOC(=O)c1cc(F)cc(C(C2CNC2)C(C)(C)F)c1

HCID67055353

未命名化合物

PRODUCTS

生成物

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

HCID67055347

未命名化合物

PROCEDURE

实验过程

Prepared from ethyl 3-(1-azetidin-3-yl-2-fluoro-2-methylpropyl)-5-fluorobenzoate and 3-[bromo(4-cyanophenyl)methyl]benzonitrile as described in Preparation 17, Part 5; Mass Spectrum: m/e=514.

WORKUP

后处理

customas described in Preparation 17, Part 5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acf08cc00cc94cf5aeef399f57ba6ae8
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

[NH:1]1[CH2:4][CH:3]([CH:5]([C:10]2[CH:11]=[C:12]([CH:18]=[C:19]([F:21])[CH:20]=2)[C:13]([O:15][CH2:16][CH3:17])=[O:14])[C:6]([F:9])([CH3:8])[CH3:7])[CH2:2]1.Br[CH:23]([C:32]1[CH:37]=[CH:36][C:35]([C:38]#[N:39])=[CH:34][CH:33]=1)[C:24]1[CH:25]=[C:26]([CH:29]=[CH:30][CH:31]=1)[C:27]#[N:28]>>[C:38]([C:35]1[CH:34]=[CH:33][C:32]([CH:23]([C:24]2[CH:31]=[CH:30][CH:29]=[C:26]([C:27]#[N:28])[CH:25]=2)[N:1]2[CH2:4][CH:3]([CH:5]([C:10]3[CH:11]=[C:12]([CH:18]=[C:19]([F:21])[CH:20]=3)[C:13]([O:15][CH2:16][CH3:17])=[O:14])[C:6]([F:9])([CH3:8])[CH3:7])[CH2:2]2)=[CH:37][CH:36]=1)#[N:39]