HRID733635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66039

3-Cyclopentylpropionyl chloride

C8H13ClO

结构：CCCCc1ccc(C#Cc2ccc(CNc3cc(C(=O)OCC)ccc3F)cc2)cc1

HCID11189594

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3cc(C(=O)OCC)ccc3F)cc2)cc1

HCID57841389

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

PROCEDURE

实验过程

The titled compound was prepared following the procedure B using ethyl 3-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-4-fluorobenzoate and 3-cyclopentylpropionyl chloride in the presence of DMAP as a colorless oil (15%). M+ (ESI): 553.9. HPLC, Rt: 6.39 min (Purity: 93.6%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87914e62222849de8d105544530e4d7e
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:32]=[CH:31][C:16]([CH2:17][NH:18][C:19]3[CH:20]=[C:21]([CH:27]=[CH:28][C:29]=3[F:30])[C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].[CH:33]1([CH2:38][CH2:39][C:40](Cl)=[O:41])[CH2:37][CH2:36][CH2:35][CH2:34]1>CN(C1C=CN=CC=1)C>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]#[C:12][C:13]2[CH:32]=[CH:31][C:16]([CH2:17][N:18]([C:40](=[O:41])[CH2:39][CH2:38][CH:33]3[CH2:37][CH2:36][CH2:35][CH2:34]3)[C:19]3[CH:20]=[C:21]([CH:27]=[CH:28][C:29]=3[F:30])[C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:15][CH:14]=2)=[CH:9][CH:10]=1)[CH2:2][CH2:3][CH3:4]