HRID2091846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10796

Cesium carbonate

CCs2O3

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

HCID23676156

Sodium t-butoxide

C4H9NaO

反应SMILES：CC(C)(O)C1CCN(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)CC1

HCID58404970

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1

HCID53378158

未命名化合物

PROCEDURE

实验过程

2-(1-((2-Chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)piperidin-4-yl)propan-2-ol from Example 8 (0.73 g) was reacted with 2-isopropyl-1H-benzo[d]imidazole and sodium tert-butoxide (instead of cesium carbonate) via General Procedure C to produce 0.192 g of 112 following reverse phase HPLC purification. MS (Q1) 530.3 (M)+

WORKUP

后处理

customto produce
custom0.192 g of 112 following reverse phase HPLC purification

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a5232f04ffee456cb89ca86a12d8b7a4
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08440651B2
来源说明: uspto-grants-2013_05

反应SMILES

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