HRID418194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)ccc1C(F)(F)F

HCID86607114

未命名化合物

HCID178513322

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(C(F)(F)F)n3ncc(-c4nc(-c5cccc(S(N)(=O)=O)c5)no4)c3n2)ccc1C(F)(F)F

HCID16068880

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 5-(3-methyl-4-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (example C.8) (195 mg, 0.5 mmol) and N-hydroxy-3-sulfamoyl-benzamidine [CAS-No. 9000-88-7] (161 mg, 0.75 mmol) according to general procedure II. Obtained after purification by flash chromatography (ethyl acetate/heptane) and crystallization (dichloromethane) as a light yellow solid (190 mg, 67%). MS (EI) 568.1 [(M)+]; mp 270° C.

WORKUP

后处理

customObtained
customafter purification
customby flash chromatography (ethyl acetate/heptane) and crystallization (dichloromethane) as a light yellow solid (190 mg, 67%)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6e5290b87cf4140a66ca72c626b2334
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08093263B2
来源说明: uspto-grants-2012_01

反应 SMILES

[CH3:1][C:2]1[CH:3]=[C:4]([C:12]2[CH:17]=[C:16]([C:18]([F:21])([F:20])[F:19])[N:15]3[N:22]=[CH:23][C:24]([C:25](O)=O)=[C:14]3[N:13]=2)[CH:5]=[CH:6][C:7]=1[C:8]([F:11])([F:10])[F:9].[OH:28][NH:29][C:30](=[NH:41])[C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([S:37](=[O:40])(=[O:39])[NH2:38])[CH:32]=1>>[CH3:1][C:2]1[CH:3]=[C:4]([C:12]2[CH:17]=[C:16]([C:18]([F:21])([F:19])[F:20])[N:15]3[N:22]=[CH:23][C:24]([C:25]4[O:28][N:29]=[C:30]([C:31]5[CH:32]=[C:33]([S:37]([NH2:38])(=[O:39])=[O:40])[CH:34]=[CH:35][CH:36]=5)[N:41]=4)=[C:14]3[N:13]=2)[CH:5]=[CH:6][C:7]=1[C:8]([F:9])([F:10])[F:11]