HRID1158976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID97249

Benzonitrile, 3-(bromomethyl)-

C8H6BrN

结构：COC(=O)CCc1c(CN(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)cnc(C)c1O

HCID58636832

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1c(CN(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)cnc(C)c1OCc1cccc(C#N)c1

HCID58636708

未命名化合物

收率 68%

PROCEDURE

实验过程

The coupling of 3-(5-{[tert-butoxycarbonyl-(4-cyano-phenyl)-amino]-methyl}-3-hydroxy-2-methyl-pyridin-4-yl)-propionic acid methyl ester (121) and α-bromo-m-tolunitrile (102 mg, 0.5 mmol), as described in Example 1, gave 3-[5-{[tert-butoxycarbonyl-(4-cyano-phenyl)-amino]-methyl}-3-(3-cyano-benzyloxy)-2-methyl-pyridin-4-yl]-propionic acid methyl ester (122) (162 mg, 68% yield for 2 steps).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b225736655b8461aab5231f6c9dfb9da
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07812037B2
来源说明: uspto-grants-2010_10

反应 SMILES

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