HRID2423765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCNc1cc(OC)ccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57934253

未命名化合物

HCID66626721

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccc(OCCN2CCCCCC2)nc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1

HCID57934330

未命名化合物

收率 81.6%

PROCEDURE

实验过程

Synthesized from pivalic acid (R)-6-(2-ethylamino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl ester (30 mg) and 6-(2-azepan-1-ylethoxy)nicotinic acid hydrochloride (60 mg) according to an analogous synthetic method to Example 337 described below and purified by LC-MS, the title compound (34 mg) was obtained.

WORKUP

后处理

custompurified by LC-MS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bce69a2c028942269c3e1be99e7531d6
来源数据集: uspto-grants-2011_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07960412B2
来源说明: uspto-grants-2011_06

反应 SMILES

[CH2:1]([NH:3][C:4]1[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[CH:6][C:5]=1[C@@H:12]1[CH2:21][CH2:20][C:19]2[CH:18]=[C:17]([O:22]C(=O)C(C)(C)C)[CH:16]=[CH:15][C:14]=2[CH2:13]1)[CH3:2].Cl.[N:30]1([CH2:37][CH2:38][O:39][C:40]2[CH:48]=[CH:47][C:43]([C:44](O)=O)=[CH:42][N:41]=2)[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]1>>[N:30]1([CH2:37][CH2:38][O:39][C:40]2[N:41]=[CH:42][C:43]([CH2:44][N:3]([CH2:1][CH3:2])[C:4]3[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[CH:6][C:5]=3[C@@H:12]3[CH2:21][CH2:20][C:19]4[CH:18]=[C:17]([OH:22])[CH:16]=[CH:15][C:14]=4[CH2:13]3)=[CH:47][CH:48]=2)[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]1