HRID1945996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

结构：Cn1c(CN2CCN(C(C)(C)CO)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

HCID86648251

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(C)(C)CO)CC3)n(C)c2n1

HCID59605300

未命名化合物

PROCEDURE

实验过程

2-(4-((2-Chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropan-1-ol (70 mg) was reacted with 2-isopropylbenzimidazole via General Procedure I for Buchwald coupling to give 28 mg 476 following reverse phase purification. MS (Q1) 548.3 (M)+

WORKUP

后处理

customto give
custom28 mg 476 following reverse phase purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17fe3d66e85340b4be8dfe1f18d02d20
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

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