HRID583713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22145617

未命名化合物

结构：CCOC(=O)[C@H](CNC(=O)c1ccc(C#Cc2nc(N)cc3ccccc23)cc1)NS(=O)(=O)c1ccccc1

HCID86754345

未命名化合物

PRODUCTS

生成物

结构：Nc1cc2ccccc2c(C#Cc2ccc(C(=O)NC[C@H](NS(=O)(=O)c3ccccc3)C(=O)O)cc2)n1.O=C(O)C(F)(F)F

HCID86754346

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID313

Hydrochloric Acid

ClH

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

A solution of ester 35-4 (0.46 g, 0.85 mmol) in dioxane (4 mL) and 6N HCl (8.5 mL) was heated to 60° C. overnight. Concentration yielded an orange solid. Prep. HPLC (C18, 0.1% TFA H2O/CH3CN) followed by lyophilization gave trifluoroacetate 35-5 as an orange solid.

WORKUP

后处理

concentrationConcentration
customyielded an orange solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-995b5f02220b42d4a312cf9eb4beb514
来源数据集: uspto-grants-1999_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05929120
来源说明: uspto-grants-1999_07

反应 SMILES

C([O:3][C:4](=[O:39])[C@@H:5]([NH:29][S:30]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)(=[O:32])=[O:31])[CH2:6][NH:7][C:8](=[O:28])[C:9]1[CH:14]=[CH:13][C:12]([C:15]#[C:16][C:17]2[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH:20]=[C:19]([NH2:27])[N:18]=2)=[CH:11][CH:10]=1)C.[C:40]([OH:46])([C:42]([F:45])([F:44])[F:43])=[O:41].O.CC#N>O1CCOCC1.Cl>[F:43][C:42]([F:45])([F:44])[C:40]([OH:46])=[O:41].[NH2:27][C:19]1[N:18]=[C:17]([C:16]#[C:15][C:12]2[CH:13]=[CH:14][C:9]([C:8]([NH:7][CH2:6][C@H:5]([NH:29][S:30]([C:33]3[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=3)(=[O:32])=[O:31])[C:4]([OH:39])=[O:3])=[O:28])=[CH:10][CH:11]=2)[C:26]2[C:21]([CH:20]=1)=[CH:22][CH:23]=[CH:24][CH:25]=2