HRID534756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9743

3-Fluorophenol

C6H5FO

HCID3080668

4,8,12,16-Tetramethylheptadecanoic acid

C21H42O2

结构：C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Br)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID59262238

未命名化合物

PRODUCTS

生成物

结构：C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID59262184

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID62652

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 1,1-dimethylethyl (2S)-4-({4-[[(5-bromo-2-pyridinyl)carbonyl](methyl)amino]phenyl}methyl)-2-methyl-1-piperazinecarboxylate (D72) and 3-fluorophenol using a method similar to that described for D73 in Description 73 although 1 eq. CuCl and 0.25 eq. THMD were used. MS (ES): MH+ 535.3.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4236b5af72f54bf18c063032af5a22c5
来源数据集: uspto-grants-2014_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08853218B2
来源说明: uspto-grants-2014_10

反应 SMILES

Br[C:2]1[CH:3]=[CH:4][C:5]([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])=[N:6][CH:7]=1.[F:33][C:34]1[CH:35]=[C:36]([OH:40])[CH:37]=[CH:38][CH:39]=1.CC(CCCC(CCCC(CCCC(CCC(O)=O)C)C)C)C>Cl[Cu]>[F:33][C:34]1[CH:35]=[C:36]([O:40][C:2]2[CH:3]=[CH:4][C:5]([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])=[N:6][CH:7]=2)[CH:37]=[CH:38][CH:39]=1