HRID56635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID117622556

未命名化合物

结构：CC(C(=O)O)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O

HCID117622850

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1ccc2c(=O)n(C)n(C(=O)OC(C)(C)C)c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O

HCID117622856

未命名化合物

PROCEDURE

实验过程

89 mg (purity 83%, 0.24 mmol) of 2-[4-(5-chloro-2-cyanophenyl)-2-oxopyridin-1(2H)-yl]propanoic acid (racemate) and 1.1 eq. of tert-butyl 6-amino-2-methyl-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate were reacted according to General Method 5A. The crude product was purified by preparative HPLC (Reprosil C18, water/methanol gradient). Yield: 75 mg (56% of theory)

WORKUP

后处理

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67b6f3d2d475483db7e6a1e63800a19c
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:20]#[N:21])=[C:6]([C:8]2[CH:13]=[CH:12][N:11]([CH:14]([CH3:18])[C:15]([OH:17])=O)[C:10](=[O:19])[CH:9]=2)[CH:7]=1.[NH2:22][C:23]1[CH:31]=[C:30]2[C:26]([C:27](=[O:40])[N:28]([CH3:39])[N:29]2[C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])=[CH:25][CH:24]=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:20]#[N:21])=[C:6]([C:8]2[CH:13]=[CH:12][N:11]([CH:14]([CH3:18])[C:15]([NH:22][C:23]3[CH:31]=[C:30]4[C:26]([C:27](=[O:40])[N:28]([CH3:39])[N:29]4[C:32]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:33])=[CH:25][CH:24]=3)=[O:17])[C:10](=[O:19])[CH:9]=2)[CH:7]=1