HRID733584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3015937

1H-Pyrazole-4-carboxylic acid

C4H4N2O2

结构：CCCCc1ccc(C#Cc2ccc(CNCc3ccc(OCC(=O)OC)cc3)cc2)cc1

HCID57554567

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)OC)cc3)C(=O)c3cn[nH]c3)cc2)cc1

HCID57841328

未命名化合物

PROCEDURE

实验过程

The titled compound was prepared following the procedure H using methyl {4-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]phenoxy}acetate and 1H-pyrazole-4-carboxylic acid as a colorless oil (95%). HPLC, Rt: 5.15 min (Purity: 69.2%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83028ab670664eaa9a422eb6c0504a1c
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:33]=[CH:32][C:16]([CH2:17][NH:18][CH2:19][C:20]3[CH:31]=[CH:30][C:23]([O:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])=[CH:22][CH:21]=3)=[CH:15][CH:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4].[NH:34]1[CH:38]=[C:37]([C:39](O)=[O:40])[CH:36]=[N:35]1>>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]#[C:12][C:13]2[CH:14]=[CH:15][C:16]([CH2:17][N:18]([CH2:19][C:20]3[CH:21]=[CH:22][C:23]([O:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])=[CH:30][CH:31]=3)[C:39]([C:37]3[CH:38]=[N:34][NH:35][CH:36]=3)=[O:40])=[CH:32][CH:33]=2)=[CH:9][CH:10]=1)[CH2:2][CH2:3][CH3:4]