HRID1946034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=C3CCN(C(=O)OC(C)(C)C)CC3)n(C)c2n1

HCID59605768

未命名化合物

PRODUCTS

生成物

HCID59605471

未命名化合物

收率 90.3%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

A suspension of tert-butyl 4-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methylene)piperidine-1-carboxylate (0.39 g, 0.729 mmol) and Pd/C (10 wt %, 0.1 g) in ethanol (15 mL) was stirred under a hydrogen atmosphere (balloon) at room temperature for 18 hours. The reaction mixture was then filtered through celite and concentrated. The crude product was purified by flash chromatography (0-5% MeOH in DCM) to give the title compound (0.36 g, 90%). LCMS m/z: 547.2 (MH+)

WORKUP

后处理

filtrationThe reaction mixture was then filtered through celite
concentrationconcentrated
customThe crude product was purified by flash chromatography (0-5% MeOH in DCM)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0142ea070be4e76a643ccb54d28087b
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08394796B2
来源说明: uspto-grants-2013_03

反应 SMILES

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