HRID1434411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16279503

7-Azabicyclo[2.2.1]heptane--hydrogen chloride (1/1)

C6H12ClN

结构：CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H](c1ccccc1NCCCc1ccc(CC(=O)O)cc1)C2

HCID86605264

未命名化合物

PRODUCTS

生成物

结构：Oc1ccc2c(c1)CC[C@@H](c1ccccc1NCCCc1ccc(CCN3C4CCC3CC4)cc1)C2

HCID66626152

未命名化合物

收率 23%

PROCEDURE

实验过程

Synthesized from pivalic acid (R)-6-{2-[(4-carboxymethylbenzyl)ethylamino]phenyl}-5,6,7,8-tetrahydronaphthalen-2-yl ester (28 mg) and 7-azabicyclo[2.2.1]heptane hydrochloride (38 mg) according to an analogous synthetic method to Example 715 and purified by LC-MS, the title compound (6.2 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-8927afcd90c9416bb1fbfe24cb712a67
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:1]([CH2:4][C:5]1[CH:37]=[CH:36][C:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[C@@H:19]2[CH2:28][CH2:27][C:26]3[CH:25]=[C:24]([O:29]C(=O)C(C)(C)C)[CH:23]=[CH:22][C:21]=3[CH2:20]2)=[CH:7][CH:6]=1)(O)=O.Cl.[CH:39]12[NH:45][CH:42]([CH2:43][CH2:44]1)[CH2:41][CH2:40]2>>[CH:42]12[N:45]([CH2:1][CH2:4][C:5]3[CH:6]=[CH:7][C:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=4[C@@H:19]4[CH2:28][CH2:27][C:26]5[CH:25]=[C:24]([OH:29])[CH:23]=[CH:22][C:21]=5[CH2:20]4)=[CH:36][CH:37]=3)[CH:39]([CH2:44][CH2:43]1)[CH2:40][CH2:41]2