HRID1946043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID90097

Methyl 2-bromo-2-methylpropionate

C5H9BrO2

反应SMILES：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(O)C3CCNCC3)n(C)c2n1

HCID59605474

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(O)C3CCN(C(C)(C)C(=O)OC)CC3)n(C)c2n1

HCID59606022

未命名化合物

收率 83%

PROCEDURE

实验过程

Following General Procedure C, (2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)(piperidin-4-yl)methanol was alkylated with 2-bromo-2-methylpropionic acid methyl ester to give the racemate desired product (0.22 g, 83%). The enantiomers were separated by SFC to give 526. LCMS m/z: 289.2 (2M+H+)

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d2b25071c37e41bb9d0dad8384b42830
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08394796B2
来源说明: uspto-grants-2013_03

反应SMILES

[CH2:1]([C:3]1[N:7]([C:8]2[N:16]=[C:15]3[C:11]([N:12]=[C:13]([CH:18]([CH:20]4[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]4)[OH:19])[N:14]3[CH3:17])=[C:10]([N:26]3[CH2:31][CH2:30][O:29][CH2:28][CH2:27]3)[N:9]=2)[C:6]2[CH:32]=[CH:33][CH:34]=[CH:35][C:5]=2[N:4]=1)[CH3:2].[CH3:36][O:37][C:38](=[O:43])[C:39](Br)([CH3:41])[CH3:40]>>[CH2:1]([C:3]1[N:7]([C:8]2[N:16]=[C:15]3[C:11]([N:12]=[C:13]([CH:18]([OH:19])[CH:20]4[CH2:21][CH2:22][N:23]([C:39]([CH3:41])([CH3:40])[C:38]([O:37][CH3:36])=[O:43])[CH2:24][CH2:25]4)[N:14]3[CH3:17])=[C:10]([N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[N:9]=2)[C:6]2[CH:32]=[CH:33][CH:34]=[CH:35][C:5]=2[N:4]=1)[CH3:2]