HRID913137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1cnc(NC2CCNCC2)cc1C(F)(F)F.Cl.Cl

HCID42604213

未命名化合物

2 次

结构：CCCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(N)=O)cn3)CC2)ccc1OC

HCID42604959

未命名化合物

HCID59128273

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(N)=O)cn3)CC2)cc(OCC)c1F

HCID67400691

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the synthesis of 6-[1-(4-methoxy-3-propoxy-benzyl)-piperidin-4-ylamino]-4-trifluoromethyl-nicotinamide (example 197) from 6-(piperidin-4-ylamino)-4-trifluoromethyl-nicotinic acid methyl ester dihydrochloride (intermediate B7) and 3,5-diethoxy-4-fluoro-benzaldehyde (intermediate E5) in a yield of 2.3 mg (3%). MS (ISP): 485.3 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43dc442b9f4b4dc9978ece77cc64062c
来源数据集: uspto-grants-2011_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08026255B2
来源说明: uspto-grants-2011_09

反应 SMILES

COC1C=CC(C[N:8]2[CH2:13][CH2:12][CH:11]([NH:14][C:15]3[CH:23]=[C:22]([C:24]([F:27])([F:26])[F:25])[C:18]([C:19]([NH2:21])=[O:20])=[CH:17][N:16]=3)[CH2:10][CH2:9]2)=CC=1OCCC.Cl.Cl.COC(=O)C1C(C(F)(F)F)=CC(NC2CCNCC2)=NC=1.[CH2:57]([O:59][C:60]1[CH:61]=[C:62]([CH:65]=[C:66]([O:69][CH2:70][CH3:71])[C:67]=1[F:68])[CH:63]=O)[CH3:58]>>[CH2:57]([O:59][C:60]1[CH:61]=[C:62]([CH:65]=[C:66]([O:69][CH2:70][CH3:71])[C:67]=1[F:68])[CH2:63][N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:23]=[C:22]([C:24]([F:26])([F:25])[F:27])[C:18]([C:19]([NH2:21])=[O:20])=[CH:17][N:16]=2)[CH2:10][CH2:9]1)[CH3:58]