HRID2093638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1ccc(C(=O)NCC2CC[NH+](c3ccc(C(F)(F)F)cn3)CC2)cc1.[Cl-]

HCID68726953

未命名化合物

结构：N#Cc1cc(Br)c2oc(-c3ccc(C(=O)[O-])cc3)nc2c1

HCID86643502

未命名化合物

2 次

PRODUCTS

生成物

结构：N#Cc1cc(Br)c2oc(-c3ccc(C(=O)NCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)nc2c1

HCID68741664

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 4-{[(4-carboxybenzoyl)amino]methyl}-1-[5-(trifluoromethyl)pyridin-2-yl]piperidinium chloride and 3-amino-5-bromo-4-hydroxybenzonitrile (INTERMEDIATE 1, Step B) by a procedure analogous to that described in EXAMPLE 109. Mass spectrum (ESI) 585.9 (M+3).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80c4843b57f94422b55451867243dfdb
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08445480B2
来源说明: uspto-grants-2013_05

反应 SMILES

[Cl-].[C:2]([C:5]1[CH:30]=[CH:29][C:8]([C:9]([NH:11][CH2:12][CH:13]2[CH2:18][CH2:17][NH+:16]([C:19]3[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][N:20]=3)[CH2:15][CH2:14]2)=[O:10])=[CH:7][CH:6]=1)([OH:4])=O.[Br:31][C:32]1[C:40]2OC(C3C=CC(C([O-])=O)=CC=3)=[N:37][C:36]=2[CH:35]=[C:34]([C:50]#[N:51])[CH:33]=1>>[Br:31][C:32]1[C:40]2[O:4][C:2]([C:5]3[CH:30]=[CH:29][C:8]([C:9]([NH:11][CH2:12][CH:13]4[CH2:18][CH2:17][N:16]([C:19]5[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:26])[F:27])=[CH:21][N:20]=5)[CH2:15][CH2:14]4)=[O:10])=[CH:7][CH:6]=3)=[N:37][C:36]=2[CH:35]=[C:34]([C:50]#[N:51])[CH:33]=1