HRID2355617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1cc(CN2CCC(Nc3cccc(NC(C)=O)c3)CC2)ccc1Cl

HCID24854968

未命名化合物

HCID59383100

未命名化合物

HCID67399609

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(Nc3cnc(C(=O)OC)cn3)CC2)cc(OCC)c1-c1ccc(F)cc1

HCID67400938

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the synthesis of 6-[1-(3-ethoxy-4-methyl-benzyl)-piperidin-4-ylamino]-nicotinonitrile (example 38/step 3) from 5-(piperidin-4-ylamino)-pyrazine-2-carboxylic acid methyl ester dihydrochloride (intermediate B14) and 2,6-diethoxy-4′-fluoro-biphenyl-4-carbaldehyde (intermediate E22) in a yield of 5.8 mg (7%). MS (ISP): 509.4 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9358457c730945e1b4a43917eeeba0c9
来源数据集: uspto-grants-2010_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07754744B2
来源说明: uspto-grants-2010_07

反应 SMILES

ClC1C=CC(CN2CCC(NC3C=C(NC(=O)C)C=CC=3)CC2)=CC=1OCC.Cl.Cl.[CH3:31][O:32][C:33]([C:35]1[CH:40]=[N:39][C:38]([NH:41][CH:42]2[CH2:47][CH2:46][NH:45][CH2:44][CH2:43]2)=[CH:37][N:36]=1)=[O:34].[CH2:48]([O:50][C:51]1[CH:56]=[C:55]([CH:57]=O)[CH:54]=[C:53]([O:59][CH2:60][CH3:61])[C:52]=1[C:62]1[CH:67]=[CH:66][C:65]([F:68])=[CH:64][CH:63]=1)[CH3:49]>>[CH3:31][O:32][C:33]([C:35]1[CH:40]=[N:39][C:38]([NH:41][CH:42]2[CH2:47][CH2:46][N:45]([CH2:57][C:55]3[CH:54]=[C:53]([O:59][CH2:60][CH3:61])[C:52]([C:62]4[CH:67]=[CH:66][C:65]([F:68])=[CH:64][CH:63]=4)=[C:51]([O:50][CH2:48][CH3:49])[CH:56]=3)[CH2:44][CH2:43]2)=[CH:37][N:36]=1)=[O:34]