HRID1370894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID458475

3-Aminopropionic acid ethyl ester hydrochloride

C5H12ClNO2

结构：Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1

HCID18511931

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCC(=O)NCCC(=O)O)cc2)cc1

HCID18512092

未命名化合物

PROCEDURE

实验过程

The product from Example 104A and β-alanine ethyl ester hydrochloride were processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.97 (s, 1 H), 7.90 (t, 1 H), 7.14-7.34 (m, 8 H), 7.01 (m, 4 H), 6.87 (d, 4 H), 4.06 (s, 2 H), 4.02 (s, 2 H), 7.71 (br s, 1H), 3.22 (dd, 2 H), 2.91 (s, 3 H), 2.77 (t, 2 H), 2.34 (m, 7 H); MS (APCI) m/z 616 (M+H+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24d2addb143543eea29c0e5e179057a1
来源数据集: uspto-grants-2003_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06583180B2
来源说明: uspto-grants-2003_06

反应 SMILES

[CH2:1]([N:8]([CH2:21][C:22]1[CH:39]=[CH:38][C:25]([O:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][C:35]([OH:37])=O)=[CH:29][CH:28]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])[C:10]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.C([O:43][C:44](=[O:48])[CH2:45][CH2:46][NH2:47])C>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:39]=[CH:38][C:25]([O:26][C:27]2[CH:28]=[CH:29][C:30]([CH2:33][CH2:34][C:35]([NH:47][CH2:46][CH2:45][C:44]([OH:48])=[O:43])=[O:37])=[CH:31][CH:32]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])[C:10]=1[CH3:20])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1