HRID57073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC(C(=O)O)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O

HCID117622569

未命名化合物

结构：COC(=O)C(F)(F)C(F)(F)c1nnc(-c2ccc(N)cc2)[nH]1

HCID178501026

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)OC)[nH]2)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O

HCID178454441

未命名化合物

PROCEDURE

实验过程

87 mg (0.25 mmol) of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]butanoic acid (racemate) and 88 mg (0.28 mmol, 1.1 eq.) of methyl 3-[5-(4-aminophenyl)-4H-1,2,4-triazol-3-yl]-2,2,3,3-tetrafluoropropanoate were reacted according to General Method 1. The crude product was purified by preparative HPLC (Reprosil C18, water/acetonitrile gradient). Yield: 96 mg (purity 94%, 56% 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-b737bb51850b4373b14a88a0c9c4a397
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:23]#[N:24])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:20][CH3:21])[C:17]([OH:19])=O)[C:10](=[O:22])[CH:9]=2)[CH:7]=1.[NH2:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[NH:33][C:34]([C:37]([F:46])([F:45])[C:38]([F:44])([F:43])[C:39]([O:41][CH3:42])=[O:40])=[N:35][N:36]=2)=[CH:28][CH:27]=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:23]#[N:24])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:20][CH3:21])[C:17]([NH:25][C:26]3[CH:27]=[CH:28][C:29]([C:32]4[NH:33][C:34]([C:37]([F:46])([F:45])[C:38]([F:44])([F:43])[C:39]([O:41][CH3:42])=[O:40])=[N:35][N:36]=4)=[CH:30][CH:31]=3)=[O:19])[C:10](=[O:22])[CH:9]=2)[CH:7]=1