HRID619850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：N#Cc1cc(CN2CC[C@H](NS(=O)(=O)c3ccc4c(Cl)c(NC(=O)OCc5ccccc5)ccc4c3)C2=O)cs1

HCID18392457

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN([C@H]1CCN(Cc2csc(C#N)c2)C1=O)S(=O)(=O)c1ccc2c(Cl)c(NC(=O)OCc3ccccc3)ccc2c1

HCID67365255

未命名化合物

PROCEDURE

实验过程

The title compound is prepared from N-Cbz-6-amino-5-chloro-naphthalene-2-sulfonic acid-[1-(5-cyanothiophen-3-ylmethyl)-2-oxopyrrolidin-3-(S)-yl]amide as described in EXAMPLE 141, Part D using tert-butyl bromoacetate in place of benzyl bromide. The crude product is purified by column chromatography eluting with a gradient of 5% EtOAc/CH2Cl2 to 10% EtOAc/CH2Cl2 to provide the title compound as a solid.

WORKUP

后处理

customThe crude product is purified by column chromatography
washeluting with a gradient of 5% EtOAc/CH2Cl2 to 10% EtOAc/CH2Cl2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c2edee8080c4961920c98206afdc9ad
来源数据集: uspto-grants-1999_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05958918
来源说明: uspto-grants-1999_09

反应 SMILES

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