HRID257582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCc1nn(-c2cc(C(=O)OCC)ccc2C(F)(F)F)c(C#N)c1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F

HCID19783179

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)c1ccc(C(F)(F)F)c(-n2nc(CCCC)c(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)c2C#N)c1

HCID19783218

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8007

Butylamine

C4H11N

PROCEDURE

实验过程

A solution of 3-n-butyl-1-[5-(ethoxycarbonyl)-2-(trifluoromethyl)phenyl]-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1H-pyrazole-5-carbonitrile (from Step K) in n-butylamine (approximately 10 mL of amine per mmole of ester) is heated in a sealed tube at 120° C. overnight. Volatiles are removed by evaporation, and the residue is chromatographed on silica gel (elution with CH2Cl2 --MeOH) to provide the title compound.

WORKUP

后处理

customVolatiles are removed by evaporation
customthe residue is chromatographed on silica gel (elution with CH2Cl2 --MeOH)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bed78f84266d4a1185e9094513e3930d
来源数据集: uspto-grants-1993_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05262412
来源说明: uspto-grants-1993_11

反应 SMILES

[CH2:1]([C:5]1[C:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[S:23](=[O:26])(=[O:25])[NH2:24])=[CH:13][C:12]=2[F:27])=[C:8]([C:28]#[N:29])[N:7]([C:30]2[CH:35]=[C:34]([C:36](OCC)=[O:37])[CH:33]=[CH:32][C:31]=2[C:41]([F:44])([F:43])[F:42])[N:6]=1)[CH2:2][CH2:3][CH3:4]>C(N)CCC>[CH2:1]([C:5]1[C:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[S:23](=[O:25])(=[O:26])[NH2:24])=[CH:13][C:12]=2[F:27])=[C:8]([C:28]#[N:29])[N:7]([C:30]2[CH:35]=[C:34]([C:36](=[O:37])[NH:6][CH2:5][CH2:1][CH2:2][CH3:3])[CH:33]=[CH:32][C:31]=2[C:41]([F:42])([F:44])[F:43])[N:6]=1)[CH2:2][CH2:3][CH3:4]