HRID1908277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID67239001

未命名化合物

结构：[Cl-].[NH3+]C(Cc1ccccc1)C(O)C(=O)NC1CC1

HCID178479578

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccccc1)C(O)C(=O)NC1CC1)c1cccnc1-n1cc(F)c(-c2ccccc2)n1

HCID67237783

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8003

Pentane

C5H12

PROCEDURE

实验过程

The reaction was carried out in analogy to reaction step 1.1 by reacting 2-(4-fluoro-3-phenyl-1H-pyrazol-1-yl)nicotinic acid and 4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-a minium chloride. The obtained crude product was treated with a mixture of dichloromethane and n-pentane gave 148 mg of the desired product; ESI-MS [M+H]+: 500.2.

WORKUP

后处理

customThe reaction was carried out in analogy to reaction step 1.1
customThe obtained crude product

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855d7d2996374b7a9014197a94a0669f
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08598211B2
来源说明: uspto-grants-2013_12

反应 SMILES

[F:1][C:2]1[C:3]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[N:4][N:5]([C:7]2[N:15]=[CH:14][CH:13]=[CH:12][C:8]=2[C:9]([OH:11])=O)[CH:6]=1.[Cl-].[CH:23]1([NH:26][C:27](=[O:39])[CH:28]([OH:38])[CH:29]([NH3+:37])[CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH2:25][CH2:24]1.ClCCl>CCCCC>[CH:23]1([NH:26][C:27](=[O:39])[CH:28]([OH:38])[CH:29]([NH:37][C:9](=[O:11])[C:8]2[CH:12]=[CH:13][CH:14]=[N:15][C:7]=2[N:5]2[CH:6]=[C:2]([F:1])[C:3]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[N:4]2)[CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH2:24][CH2:25]1