HRID644760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9743

3-Fluorophenol

C6H5FO

结构：C[C@H]1CN(Cc2ccc(N(C)C(=O)c3cccc(Cl)n3)cc2)CCN1C(=O)OC(C)(C)C

HCID59262188

未命名化合物

PRODUCTS

生成物

结构：C[C@H]1CN(Cc2ccc(N(C)C(=O)c3cccc(Oc4cccc(F)c4)n3)cc2)CCN1C(=O)OC(C)(C)C

HCID59262224

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 1,1-dimethylethyl (2S)-4-({4-[[(6-chloro-2-pyridinyl)carbonyl](methyl)amino]phenyl}methyl)-2-methyl-1-piperazinecarboxylate (D107) and 3-fluorophenol using a procedure similar to that described for D125 in Description 125 although the reaction time was 3.3 h. MS (ES): MH+ 535.4.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57486eb377d24d048d9df3e3a56c67ea
来源数据集: uspto-grants-2010_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07700599B2
来源说明: uspto-grants-2010_04

反应 SMILES

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