HRID733643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66039

3-Cyclopentylpropionyl chloride

C8H13ClO

结构：CCCCc1ccc(C#Cc2ccc(CNc3ccc(C(=O)OC)c(F)c3)cc2)cc1

HCID11292930

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3ccc(C(=O)OC)c(F)c3)cc2)cc1

HCID57841315

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure B using methyl 4-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate and 3-cyclopentylpropionyl chloride as a pale yellow oil (54%). M+ (ESI): 540.1. HPLC, Rt: 6.35 min (Purity: 98.2%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c29edcb6064c4b33857c06e05e4b193a
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07589232B2
来源说明: uspto-grants-2009_09

反应 SMILES

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