HRID1784632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)c(OCC(F)(F)F)c3)nc12

HCID86607115

未命名化合物

HCID178513347

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(-c2noc(-c3cnn4c(C(F)(F)F)cc(-c5ccc(C(F)(F)F)c(OCC(F)(F)F)c5)nc34)n2)cn1

HCID16067806

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 5-[3-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (example C.10) (237 mg, 0.5 mmol) and 6-amino-N-hydroxy-nicotinamidine (example B.4) (114 mg, 0.75 mmol) according to general procedure II. Obtained after flash chromatography on silica gel (ethyl acetate/heptane) and further purification by crystallization (dichloromethane/hexane) as a yellow solid (129 mg, 44%). MS (ISP) 590.3 [(M+H)+]; mp 284° C.

WORKUP

后处理

customObtained after flash chromatography
customon silica gel (ethyl acetate/heptane) and further purification
customby crystallization (dichloromethane/hexane) as a yellow solid (129 mg, 44%)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c69003dcc19349faa4e04204fc31f969
来源数据集: uspto-grants-2009_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07504404B2
来源说明: uspto-grants-2009_03

反应 SMILES

[F:1][C:2]([F:32])([F:31])[CH2:3][O:4][C:5]1[CH:6]=[C:7]([C:15]2[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[N:18]3[N:25]=[CH:26][C:27]([C:28](O)=O)=[C:17]3[N:16]=2)[CH:8]=[CH:9][C:10]=1[C:11]([F:14])([F:13])[F:12].[NH2:33][C:34]1[CH:43]=[CH:42][C:37]([C:38]([NH:40][OH:41])=[NH:39])=[CH:36][N:35]=1>>[F:32][C:2]([F:1])([F:31])[CH2:3][O:4][C:5]1[CH:6]=[C:7]([C:15]2[CH:20]=[C:19]([C:21]([F:22])([F:23])[F:24])[N:18]3[N:25]=[CH:26][C:27]([C:28]4[O:41][N:40]=[C:38]([C:37]5[CH:42]=[CH:43][C:34]([NH2:33])=[N:35][CH:36]=5)[N:39]=4)=[C:17]3[N:16]=2)[CH:8]=[CH:9][C:10]=1[C:11]([F:12])([F:13])[F:14]