HRID11005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)CC(=O)OC(C)(C)C

HCID145857205

未命名化合物

PRODUCTS

生成物

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)CC(=O)O

HCID145857215

未命名化合物

收率 102%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID20443148

1,4-Dioxane hydrochloride

C4H9ClO2

PROCEDURE

实验过程

A solution of intermediate 38d (262.3 mg, 0.34 mmol) in 5 mL 4M HCl dioxane was stirred at rt for 2 h. The solvent was removed in vacuo, then the compound was triturated with ether to afford 245 mg (100%) of intermediate 39a. MS (ESI) 707.4 (M+H+), 705.3 (M−H+).

WORKUP

后处理

customThe solvent was removed in vacuo
customthe compound was triturated with ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-060cc32606934662a50b466e7bc01a34
来源数据集: uspto-grants-2006_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07094783B2
来源说明: uspto-grants-2006_08

反应 SMILES

C([O:5][C:6](=[O:56])[CH2:7][C@@:8]1([CH3:55])[C:12]2=[N:13][CH:14]=[C:15]([N:18]([CH2:29][CH:30]=[CH2:31])[C:19]([O:21][CH2:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[O:20])[C:16](=[O:17])[N:11]2[C@@H:10]([C:32](=[O:54])[NH:33][CH2:34][C:35]2[CH:40]=[CH:39][C:38]([C:41]([NH:43][C:44]([O:46][CH2:47][C:48]3[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=3)=[O:45])=[NH:42])=[CH:37][CH:36]=2)[CH2:9]1)(C)(C)C>O1CCOCC1.Cl>[CH2:29]([N:18]([C:19]([O:21][CH2:22][C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)=[O:20])[C:15]1[C:16](=[O:17])[N:11]2[C@@H:10]([C:32](=[O:54])[NH:33][CH2:34][C:35]3[CH:40]=[CH:39][C:38]([C:41]([NH:43][C:44]([O:46][CH2:47][C:48]4[CH:49]=[CH:50][CH:51]=[CH:52][CH:53]=4)=[O:45])=[NH:42])=[CH:37][CH:36]=3)[CH2:9][C@:8]([CH2:7][C:6]([OH:56])=[O:5])([CH3:55])[C:12]2=[N:13][CH:14]=1)[CH:30]=[CH2:31]