HRID453316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2776438

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid

C11H6F3NO3

结构：COCCN1CCN(Cc2cnc3sc(-c4ccccc4N)nc3c2)CC1

HCID58551870

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)nc3c2)CC1

HCID46245208

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to amide synthesis general method B, utilizing 2-(6-((4-(2-methoxyethyl)piperazin-1-yl)methyl)thiazolo[5,4-b]pyridin-2-yl)aniline and 2-phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid (1.5 eq). The product was filtered from the crude reaction mixture, evaporated with methanol, and purified by silica gel chromatography (gradient 0 to 10% methanol in CH2Cl2) and by prep HPLC. MS Calcd for C31H29F3N6O3S: 622.20. Found (M+H)+ m/z=623.

WORKUP

后处理

filtrationThe product was filtered from the crude
customreaction mixture
customevaporated with methanol
custompurified by silica gel chromatography (gradient 0 to 10% methanol in CH2Cl2) and by prep HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a043c69164646249fb9d4c4cc1b6015
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08492401B2
来源说明: uspto-grants-2013_07

反应 SMILES

[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][N:8]([CH2:11][C:12]2[CH:13]=[C:14]3[N:20]=[C:19]([C:21]4[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=4[NH2:23])[S:18][C:15]3=[N:16][CH:17]=2)[CH2:7][CH2:6]1.[C:28]1([C:34]2[O:35][C:36]([C:42]([F:45])([F:44])[F:43])=[C:37]([C:39](O)=[O:40])[N:38]=2)[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][N:8]([CH2:11][C:12]2[CH:13]=[C:14]3[N:20]=[C:19]([C:21]4[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=4[NH:23][C:39]([C:37]4[N:38]=[C:34]([C:28]5[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=5)[O:35][C:36]=4[C:42]([F:44])([F:45])[F:43])=[O:40])[S:18][C:15]3=[N:16][CH:17]=2)[CH2:7][CH2:6]1