HRID878292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1

HCID17964276

未命名化合物

结构：COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(F)cc(C(F)(F)F)c1

HCID70663278

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1

HCID60196904

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to example 90, from 4-(4-fluoro-2-methoxyphenyl)-N-methylpyridin-3-amine (example 129, intermediate) and 3-(morpholine-4-sulfonyl)-5-trifluoromethyl-benzoic acid after a reaction time of 64 hours. The compound was purified by silica gel chromatography on a 20 g column using an MPLC (ISCO) system eluting with EtOAc (isocratic). Light yellow solid (34%). MS (ESI): m/z=554.14 [M+H]+.

WORKUP

后处理

customThe compound was purified by silica gel chromatography on a 20 g column
washeluting with EtOAc (isocratic)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6d420ed5e3d4ea68dcd4fc7a583979f
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08987307B2
来源说明: uspto-grants-2015_03

反应 SMILES

F[C:2]1[CH:3]=[C:4]([CH:24]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:26]=1)[C:5]([N:7]([C:9]1[CH:10]=[N:11][CH:12]=[CH:13][C:14]=1[C:15]1[CH:20]=[CH:19][C:18]([F:21])=[CH:17][C:16]=1[O:22][CH3:23])[CH3:8])=[O:6].[N:31]1([S:37](C2C=C(C=C(C(F)(F)F)C=2)C(O)=O)(=[O:39])=[O:38])[CH2:36][CH2:35][O:34][CH2:33][CH2:32]1>>[F:21][C:18]1[CH:19]=[CH:20][C:15]([C:14]2[CH:13]=[CH:12][N:11]=[CH:10][C:9]=2[N:7]([CH3:8])[C:5](=[O:6])[C:4]2[CH:24]=[C:25]([C:27]([F:28])([F:30])[F:29])[CH:26]=[C:2]([S:37]([N:31]3[CH2:36][CH2:35][O:34][CH2:33][CH2:32]3)(=[O:39])=[O:38])[CH:3]=2)=[C:16]([O:22][CH3:23])[CH:17]=1