HRID1370953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID171173

Ethyl N-methylaminoacetate hydrochloride

C5H12ClNO2

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

HCID11410199

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(=O)N(C)CC(=O)O)cc2)cc1

HCID18512118

未命名化合物

PROCEDURE

实验过程

The product from Example 95C and N-methylglycine ethyl ester hydrochloride were processed as described in Example 251A and B to provide the titled compound. 1H NMR (500 MHz, DMSO-d6) δ12.40-13.15 (br.s, 1 H), 8.94 (s, 1 H), 7.23 (m, 7 H), 7.03 (t, 1 H), 6.93 (m, 6 H), 6.82 (dd, 2 H), 4.84 (s, 1 H), 4.69 (s, 1 H), 4.17 (s, 1 H), 4.05 (s, 2 H), 4.00 (m, 3 H), 3.04 (s, 2 H), 2.91 (s, 3 H), 2.85 (s, 1 H), 2.39 (s, 3 H); MS (ESI+) m/z 618 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-947b5656b10b4b4ab441a9ec0a2f1f15
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:37]=[CH:36][C:30]([O:31][CH2:32][C:33](O)=[O:34])=[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][NH:46][CH3:47])C>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:23]=[CH:24][C:25]([O:26][C:27]2[CH:28]=[CH:29][C:30]([O:31][CH2:32][C:33]([N:46]([CH3:47])[CH2:45][C:44]([OH:48])=[O:43])=[O:34])=[CH:36][CH:37]=2)=[CH:38][CH:39]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:17])=[O:18])[C:10]=1[CH3:20])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1