HRID1434350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3144134

1-(Chloroacetyl)azepane

C8H14ClNO

结构：CCN(C(=O)c1ccc(O)cc1)c1cc(OC)c(OC)cc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57934042

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NCCCc2ccc(OCCN3CCCCCC3)cc2)c([C@@H]2CCc3cc(O)ccc3C2)cc1OC

HCID66628170

未命名化合物

收率 89.2%

PROCEDURE

实验过程

Synthesized from pivalic acid (R)-6-{2-[ethyl(4-hydroxybenzoyl)amino]-4,5-dimethoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-yl ester (16 mg) and 1-azepan-1-yl-2-chloroethanone (9.5 mg) according to an analogous synthetic method to Example 404 and purified by LC-MS, the title compound (7.5 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-99f2e02977ab4bd2ba7f0cb4ffee30ae
来源数据集: uspto-grants-2009_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07612114B2
来源说明: uspto-grants-2009_11

反应 SMILES

C([N:3]([C:31](=O)[C:32]1[CH:37]=[CH:36][C:35](O)=[CH:34]C=1)[C:4]1[CH:9]=[C:8]([O:10][CH3:11])[C:7]([O:12][CH3:13])=[CH:6][C:5]=1[C@@H: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)C.[N:40]1([C:47](=O)[CH2:48]Cl)[CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41]1>>[N:40]1([CH2:47][CH2:48][O:10][C:8]2[CH:7]=[CH:6][C:36]([CH2:37][CH2:32][CH2:31][NH:3][C:4]3[CH:9]=[C:8]([O:10][CH3:11])[C:7]([O:12][CH3:13])=[CH:6][C:5]=3[C@@H: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:35][CH:34]=2)[CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41]1