HRID1630410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31358

5,5-Dimethyl-1,3-cyclohexanedione

C8H12O2

HCID86676729

未命名化合物

HCID131731700

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(=O)C2=C(C1)Nc1[nH]ncc1C2/C=C/c1ccc(-c2cccc(F)c2)cn1.NC(=O)CC1CC1

HCID137195792

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

According to general procedure A, a mixture of 50 mg of (E)-3-[5-(3-fluorophenyl)pyridin-2-yl]propenal, 40 mg of 5-amino-1H-pyrazole-3-cyclopropylmethylcarboxamide, 31 mg of dimedone and 5 ml of ethanol is boiled under reflux for 2 hours. After cooling, the mixture is concentrated and purified by column chromatography (silica gel, methanol:DCM=5:95).

WORKUP

后处理

temperatureunder reflux for 2 hours
temperatureAfter cooling
concentrationthe mixture is concentrated
custompurified by column chromatography (silica gel, methanol:DCM=5:95)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c7f95533d2a4440bdf1247e41b6a23c
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08791133B2
来源说明: uspto-grants-2014_07

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:9]=[CH:10][C:11](/[CH:14]=[CH:15]/[CH:16]=O)=[N:12][CH:13]=2)[CH:5]=[CH:6][CH:7]=1.[NH2:18][C:19]1[NH:23][N:22]=[CH:21][CH:20]=1.[CH2:24]1[CH:26]([CH2:27][C:28]([NH2:30])=[O:29])[CH2:25]1.[CH3:31][C:32]1([CH3:40])[CH2:39][C:37](=O)[CH2:36][C:34](=[O:35])[CH2:33]1>C(O)C>[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:9]=[CH:10][C:11](/[CH:14]=[CH:15]/[CH:16]3[C:36]4[C:34](=[O:35])[CH2:33][C:32]([CH3:40])([CH3:31])[CH2:39][C:37]=4[NH:18][C:19]4[NH:23][N:22]=[CH:21][C:20]3=4)=[N:12][CH:13]=2)[CH:5]=[CH:6][CH:7]=1.[CH2:25]1[CH:26]([CH2:27][C:28]([NH2:30])=[O:29])[CH2:24]1