HRID1370952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID11410199

未命名化合物

HCID12649661

Ethyl 4-aminobutanoate--hydrogen chloride (1/1)

C6H14ClNO2

PRODUCTS

生成物

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

HCID18512053

未命名化合物

PROCEDURE

实验过程

The product from Example 95C and ethyl 4-aminobutyrate hydrochloride were processed as described in Example 251A and B to provide the titled compound. 1H NMR (500 MHz, DMSO-d6) δ11.69-12.36 (br.s, 1 H), 8.94 (s, 1 H), 8.09 (t, 1 H), 7.23 (m, 7 H), 7.03 (t, 1 H), 6.96 (m, 6 H), 6.83 (d, 2 H), 4.43 (s, 2 H), 4.05 (s, 2 H), 4.00 (s, 2 H), 3.15 (m, 2 H), 2.91 (s, 3 H), 2.39 (s, 3 H), 2.20 (t, 2 H), 1.66 (m, 2H); MS (ESI+) m/z 632 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-153889fc82dc4329892b7e22feb382d7
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]([OH:35])=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.[NH2:41][CH2:42][CH2:43][CH2:44][C:45]([O:47]CC)=[O:46]>>[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]([NH:41][CH2:42][CH2:43][CH2:44][C:45]([OH:47])=[O:46])=[O:35])=[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:17])=[O:18])[C:10]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1