HRID1023017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)[C@H]1COCCCCOc2ccc(cc2)C[C@@H](NS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N1

HCID67320439

未命名化合物

PRODUCTS

生成物

结构：CC(C)[C@H]1COCCCCOc2ccc(cc2)C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(=O)O)C(=O)N1

HCID67320445

未命名化合物

收率 56.4%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21863450

未命名化合物

PROCEDURE

实验过程

A solution of 78 mg (0.114 mmol) of tert-butyl(S)-6-tert-butoxycarbonylamino-2-[((9S,12R)-9-isopropyl-11-oxo-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-ylsulfamoyl)amino]hexanoate in 3 ml of dichloromethane/TFA (1:1, v/v) was left to stand at RT for 2 h and then concentrated. The crude product was purified by prep. HPLC. The required fractions were combined and freeze dried after addition of 1N hydrochloric acid. 34 mg of the title compound were obtained as hydrochloride.

WORKUP

后处理

concentrationconcentrated
customThe crude product was purified by prep
customfreeze dried
additionafter addition of 1N hydrochloric acid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a26cd07f26b47329d814de22e4f56b6
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08722655B2
来源说明: uspto-grants-2014_05

反应 SMILES

C(OC([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C@H:13]([NH:21][S:22](=[O:47])(=[O:46])[NH:23][C@@H:24]1[CH2:39][C:38]2=[CH:40][CH:41]=[C:35]([CH:36]=[CH:37]2)[O:34][CH2:33][CH2:32][CH2:31][CH2:30][O:29][CH2:28][C@H:27]([CH:42]([CH3:44])[CH3:43])[NH:26][C:25]1=[O:45])[C:14]([O:16]C(C)(C)C)=[O:15])=O)(C)(C)C>ClCCl.C(O)(C(F)(F)F)=O>[NH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C@H:13]([NH:21][S:22](=[O:46])(=[O:47])[NH:23][C@@H:24]1[CH2:39][C:38]2=[CH:37][CH:36]=[C:35]([CH:41]=[CH:40]2)[O:34][CH2:33][CH2:32][CH2:31][CH2:30][O:29][CH2:28][C@H:27]([CH:42]([CH3:44])[CH3:43])[NH:26][C:25]1=[O:45])[C:14]([OH:16])=[O:15]