HRID2093635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)c1ccc(C(=O)NCC2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1

HCID59586078

未命名化合物

2 次

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(c5nccc(C(F)(F)F)n5)CC4)cc3)nc2c1

HCID68743081

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 4-{[({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]carbonyl}benzoic acid (INTERMEDIATE 25) and 3-amino-5-bromo-4-hydroxybenzonitrile (INTERMEDIATE 1, Step B) by a procedure analogous to that described in Example 109. Mass spectrum (ESI) 587.0 (M+3).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f907214f5ed443ca135735e23f27124
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

[F:1][C:2]([F:29])([F:28])[C:3]1[CH:8]=[CH:7][N:6]=[C:5]([N:9]2[CH2:14][CH2:13][CH:12]([CH2:15][NH:16][C:17]([C:19]3[CH:27]=[CH:26][C:22]([C:23]([OH:25])=O)=[CH:21][CH:20]=3)=[O:18])[CH2:11][CH2:10]2)[N:4]=1.[Br:30][C:31]1[C:39]2OC(C3C=CC(C([O-])=O)=CC=3)=[N:36][C:35]=2[CH:34]=[C:33]([C:49]#[N:50])[CH:32]=1>>[Br:30][C:31]1[C:39]2[O:25][C:23]([C:22]3[CH:26]=[CH:27][C:19]([C:17]([NH:16][CH2:15][CH:12]4[CH2:13][CH2:14][N:9]([C:5]5[N:4]=[C:3]([C:2]([F:29])([F:1])[F:28])[CH:8]=[CH:7][N:6]=5)[CH2:10][CH2:11]4)=[O:18])=[CH:20][CH:21]=3)=[N:36][C:35]=2[CH:34]=[C:33]([C:49]#[N:50])[CH:32]=1