HRID541546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

结构：CC(=O)c1cc(C(=O)NN(Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](O)C(=O)O)[nH]n1

HCID86705116

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cc(C(=O)NN(Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](OC(=O)C(C)C)C(=O)O)[nH]n1

HCID86705119

未命名化合物

收率 40.7%

PROCEDURE

实验过程

Isobutyryl chloride (23.4 μL, 221.1 μmol) and (R)-3-[N′-(5-acetyl-2H-pyrazole-3-carbonyl)-N-(5′-chloro-2′-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic acid (10.5 mg, 22.1 μmol) were combined in THF (108 μL, 1.3 mmol), and stirred overnight at room temperature. The solvent was evaporated and the residue was purified by preparative HPLC to yield the title compound (4.9 mg) as a TFA salt. MS m/z [M+H]+ calc'd for C26H26ClFN4O6, 545.15. found 545.1.

WORKUP

后处理

customThe solvent was evaporated
customthe residue was purified by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efe6d75af6dd4534b63a5b9589c3bf48
来源数据集: uspto-grants-2014_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08871792B2
来源说明: uspto-grants-2014_10

反应 SMILES

[C:1](Cl)(=[O:5])[CH:2]([CH3:4])[CH3:3].[C:7]([C:10]1[CH:11]=[C:12]([C:15]([NH:17][N:18]([CH2:34][C@@H:35]([OH:39])[C:36]([OH:38])=[O:37])[CH2:19][C:20]2[CH:25]=[CH:24][C:23]([C:26]3[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:27]=3[F:33])=[CH:22][CH:21]=2)=[O:16])[NH:13][N:14]=1)(=[O:9])[CH3:8].C1COCC1>>[C:7]([C:10]1[CH:11]=[C:12]([C:15]([NH:17][N:18]([CH2:34][C@@H:35]([O:39][C:1](=[O:5])[CH:2]([CH3:4])[CH3:3])[C:36]([OH:38])=[O:37])[CH2:19][C:20]2[CH:25]=[CH:24][C:23]([C:26]3[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:27]=3[F:33])=[CH:22][CH:21]=2)=[O:16])[NH:13][N:14]=1)(=[O:9])[CH3:8]