HRID1950214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCNc1cc(OC)c(OC)cc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57933854

未命名化合物

HCID66626940

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NCCCc2ccc(CCCN3CCCCCC3)cc2)c(C2CCc3cc(O)ccc3C2)cc1OC

HCID66627845

未命名化合物

收率 44.3%

PROCEDURE

实验过程

Synthesized from pivalic acid 6-(2-ethylamino-4,5-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl ester (50 mg) and 4-(3-azepan-1-ylpropyl)benzoic acid hydrochloride (100 mg) according to an analogous synthetic method to Example 337 described below, the title compound (30 mg) was obtained.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2f1606f282148f88944b98e07c558f9
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08399520B2
来源说明: uspto-grants-2013_03

反应 SMILES

[CH2:1]([NH:3][C:4]1[CH:9]=[C:8]([O:10][CH3:11])[C:7]([O:12][CH3:13])=[CH:6][C:5]=1[CH:14]1[CH2:23][CH2:22][C:21]2[CH:20]=[C:19]([O:24]C(=O)C(C)(C)C)[CH:18]=[CH:17][C:16]=2[CH2:15]1)[CH3:2].Cl.[N:32]1([CH2:39][CH2:40][CH2:41][C:42]2[CH:50]=[CH:49][C:45]([C:46](O)=O)=[CH:44][CH:43]=2)[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1>>[N:32]1([CH2:39][CH2:40][CH2:41][C:42]2[CH:50]=[CH:49][C:45]([CH2:46][CH2:2][CH2:1][NH:3][C:4]3[CH:9]=[C:8]([O:10][CH3:11])[C:7]([O:12][CH3:13])=[CH:6][C:5]=3[CH:14]3[CH2:23][CH2:22][C:21]4[CH:20]=[C:19]([OH:24])[CH:18]=[CH:17][C:16]=4[CH2:15]3)=[CH:44][CH:43]=2)[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1