HRID80669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCC(n2cnc(COS(C)(=O)=O)n2)CC1

HCID57708378

未命名化合物

HCID57708402

未命名化合物

HCID178469923

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C2CCN(c3ncc(CC)cn3)CC2)nc1C(F)(F)F

HCID57708415

未命名化合物

结构：CCOC(=O)c1cnn(C2CCN(c3ncc(CC)cn3)CC2)c1C(F)(F)F

HCID57708422

未命名化合物

PROCEDURE

实验过程

The compound was synthesized using ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate and 1-(5-ethylpyrimidin-2-yl)piperidin-4-yl methanesulfonate in a manner similar to that described in Intermediate 1, Step 1. The reaction afforded two regioisomers, ethyl 1-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate and ethyl 1-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate which were separated by flash column chromatography on silica gel.

WORKUP

后处理

customThe compound was synthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8c9e44a77234097b3956546c756b42c
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846675B2
来源说明: uspto-grants-2014_09

反应 SMILES

[F:1][C:2]([F:14])([F:13])[C:3]1[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:6][NH:5][N:4]=1.CS(O[CH:20]1[CH2:25][CH2:24][N:23]([C:26]2[N:31]=[CH:30][C:29]([CH2:32][CH3:33])=[CH:28][N:27]=2)[CH2:22][CH2:21]1)(=O)=O.C(OC(N1CCC(N2C=NC(COS(C)(=O)=O)=N2)CC1)=O)(C)(C)C>>[CH2:32]([C:29]1[CH:28]=[N:27][C:26]([N:23]2[CH2:24][CH2:25][CH:20]([N:5]3[CH:6]=[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[C:3]([C:2]([F:1])([F:13])[F:14])=[N:4]3)[CH2:21][CH2:22]2)=[N:31][CH:30]=1)[CH3:33].[CH2:32]([C:29]1[CH:28]=[N:27][C:26]([N:23]2[CH2:24][CH2:25][CH:20]([N:4]3[C:3]([C:2]([F:1])([F:13])[F:14])=[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[CH:6]=[N:5]3)[CH2:21][CH2:22]2)=[N:31][CH:30]=1)[CH3:33]