HRID3787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C

HCID13385843

未命名化合物

HCID20443148

1,4-Dioxane hydrochloride

C4H9ClO2

PRODUCTS

生成物

结构：COC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)CCSC.COC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)CCSC.Cl.Cl.O

HCID131714086

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

The title compound of Example 10 (12.0 g) was dissolved in 50 ml of dioxane to which was added 50 ml of 6M hydrogen chloride/dioxane. After about one hour, the volatiles were removed in vacuo and the residue triturated thoroughly with diethyl ether. The title compound (10.9 g) was collected as an analytically pure hydrochloride hemihydrate.

WORKUP

后处理

customthe volatiles were removed in vacuo
customthe residue triturated thoroughly with diethyl ether
customThe title compound (10.9 g) was collected as an analytically pure hydrochloride hemihydrate

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cde0d6b47b04ae18f76dd684a697a17
来源数据集: uspto-grants-1988_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04722922
来源说明: uspto-grants-1988_02

反应 SMILES

C([O:5]C([NH:8][C@@H:9]([C:14]([NH:16][CH2:17][C:18]([NH:20][C@H:21]([C:29]([NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37]([O:39][CH3:40])=[O:38])=[O:30])[CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)=[O:19])=[O:15])[CH2:10][CH2:11][S:12][CH3:13])=O)(C)(C)C.[ClH:41].O1CCOCC1>O1CCOCC1>[OH2:5].[ClH:41].[NH2:8][C@@H:9]([C:14]([NH:16][CH2:17][C:18]([NH:20][C@H:21]([C:29]([NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37]([O:39][CH3:40])=[O:38])=[O:30])[CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)=[O:19])=[O:15])[CH2:10][CH2:11][S:12][CH3:13].[NH2:8][C@@H:9]([C:14]([NH:16][CH2:17][C:18]([NH:20][C@H:21]([C:29]([NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37](=[O:38])[O:39][CH3:40])=[O:30])[CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)=[O:19])=[O:15])[CH2:10][CH2:11][S:12][CH3:13].[ClH:41]