HRID1744594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID14798

Sodium Hydroxide

HNaO

结构：Cc1oncc1C(=O)N1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2C#N)CC1

HCID22228167

未命名化合物

PRODUCTS

生成物

$结构：C/C(O)=C(\C#N)C(=O)N1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2C#N)CC1$

HCID69648879

未命名化合物

收率 47.4%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

A mixed solvent of ethanol (10 ml) and water (10 ml) containing N-{3-cyano-4-[4-(5-methylisoxazol-4-ylcarbonyl) piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (0.95 g) and sodium hydroxide (0.1 g) was stirred at a refluxing temperature for 2 h. The solvent was evaporated under reduced pressure. Dilute hydrochloric acid was added to the residue to allow crystallization. The crystals were recrystallized from hydrous dimethylformamide to give the title compound (0.45 g), melting point: 210° C.

WORKUP

后处理

customThe solvent was evaporated under reduced pressure
additionDilute hydrochloric acid was added to the residue
customcrystallization
customThe crystals were recrystallized from hydrous dimethylformamide

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-568dee4af188439a97b694b930c080b6
来源数据集: uspto-grants-2006_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07015218B1
来源说明: uspto-grants-2006_03

反应 SMILES

C(O)C.[C:4]([C:6]1[CH:7]=[C:8]([NH:26][C:27]([C:29]2[CH:30]=[N:31][N:32]([C:35]3[CH:40]=[CH:39][C:38]([F:41])=[CH:37][CH:36]=3)[C:33]=2[CH3:34])=[O:28])[CH:9]=[CH:10][C:11]=1[N:12]1[CH2:17][CH2:16][N:15]([C:18]([C:20]2[CH:21]=[N:22][O:23][C:24]=2[CH3:25])=[O:19])[CH2:14][CH2:13]1)#[N:5].[OH-].[Na+]>O>[C:4]([C:6]1[CH:7]=[C:8]([NH:26][C:27]([C:29]2[CH:30]=[N:31][N:32]([C:35]3[CH:40]=[CH:39][C:38]([F:41])=[CH:37][CH:36]=3)[C:33]=2[CH3:34])=[O:28])[CH:9]=[CH:10][C:11]=1[N:12]1[CH2:17][CH2:16][N:15]([C:18](=[O:19])/[C:20](/[C:21]#[N:22])=[C:24](\[OH:23])/[CH3:25])[CH2:14][CH2:13]1)#[N:5]