HRID57074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3939

Lithium hydroxide anhydrous

HLiO

结构：CCC(C(=O)Nc1ccc(-c2nnc(C(F)(F)C(F)(F)C(=O)OC)[nH]2)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O

HCID178454441

未命名化合物

PRODUCTS

生成物

结构：CCC(C(=O)Nc1ccc(-c2nnc(C(F)(F)C(F)(F)C(=O)O)[nH]2)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O

HCID178454442

未命名化合物

PROCEDURE

实验过程

96 mg (purity 94%, 0.14 mmol) of methyl 3-{5-[4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]butanoyl}amino)phenyl]-4H-1,2,4-triazol-3-yl}-2,2,3,3-tetrafluoropropanoate (racemate) were hydrolysed with lithium hydroxide according to General Method 3. The crude product was purified by preparative HPLC (Reprosil C18, water/acetonitrile gradient). Yield: 28 mg (32% of theory)

WORKUP

后处理

customThe crude product was purified by preparative HPLC (Reprosil C18, water/acetonitrile gradient)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-429462471d634058b49bda19e268567e
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09434690B2
来源说明: uspto-grants-2016_09

反应 SMILES

[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:44]#[N:45])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:41][CH3:42])[C:17]([NH:19][C:20]3[CH:25]=[CH:24][C:23]([C:26]4[NH:27][C:28]([C:31]([F:40])([F:39])[C:32]([F:38])([F:37])[C:33]([O:35]C)=[O:34])=[N:29][N:30]=4)=[CH:22][CH:21]=3)=[O:18])[C:10](=[O:43])[CH:9]=2)[CH:7]=1.[OH-].[Li+]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:44]#[N:45])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:41][CH3:42])[C:17]([NH:19][C:20]3[CH:25]=[CH:24][C:23]([C:26]4[NH:27][C:28]([C:31]([F:39])([F:40])[C:32]([F:38])([F:37])[C:33]([OH:35])=[O:34])=[N:29][N:30]=4)=[CH:22][CH:21]=3)=[O:18])[C:10](=[O:43])[CH:9]=2)[CH:7]=1