HRID2091917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20455

1H-Benzimidazole-2-acetonitrile

C9H7N3

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

HCID58404970

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)C1CCN(Cc2ccc3nc(-n4c(CC#N)nc5ccccc54)nc(N4CCOCC4)c3n2)CC1

HCID53379131

未命名化合物

PROCEDURE

实验过程

Following General Procedure D, 2-(1-((2-chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)piperidin-4-yl)propan-2-ol from Example 8 was reacted with 2-(1H-benzo[d]imidazol-2-yl)acetonitrile to give 158. 1H NMR (400 MHz, DMSO) δ 8.32 (d, J=7.8 Hz, 1H), 8.21 (d, J=8.5 Hz, 1H), 7.91 (d, J=8.6 Hz, 1H), 7.76 (d, J=7.8 Hz, 1H), 7.38 (overlapping m, 2H), 4.88 (s, 2H), 4.54 (s, 4H), 4.04 (s, 1H), 3.86 (s, 4H), 3.73 (s, 2H), 2.92 (d, J=10.5 Hz, 2H), 1.99 (t, J=11.5 Hz, 2H), 1.67 (d, J=11.7 Hz, 2H), 1.26 (overlapping m, 3H), 1.04 (s, 6H). LCMS: 527.3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d2d961b30bb4d4cab51cddfef1bea42
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: 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.[NH:29]1[C:33]2[CH:34]=[CH:35][CH:36]=[CH:37][C:32]=2[N:31]=[C:30]1[CH2:38][C:39]#[N:40]>>[OH:22][C:19]([CH:16]1[CH2:17][CH2:18][N:13]([CH2:12][C:10]2[CH:9]=[CH:8][C:6]3[N:7]=[C:2]([N:29]4[C:33]5[CH:34]=[CH:35][CH:36]=[CH:37][C:32]=5[N:31]=[C:30]4[CH2:38][C:39]#[N:40])[N:3]=[C:4]([N:23]4[CH2:28][CH2:27][O:26][CH2:25][CH2:24]4)[C:5]=3[N:11]=2)[CH2:14][CH2:15]1)([CH3:21])[CH3:20]