HRID1180380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11491918

Acetonitrile, 2-amino-, hydrochloride (1:1)

C2H5ClN2

结构：CC(C)CC(OC(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-].[K+]

HCID69473885

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(OC(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)NCC#N

HCID86605379

未命名化合物

PROCEDURE

实验过程

Using the same procedure as described in step 3, 2-[(4-{[4-(tert-butoxycarbonyl)piperazin-1-yl]carbonyl}phenyl)(phenyl)methoxy]-4-methylpentanoic acid potassium salt from step 4 (0.55 g, 1.1 mmol) was coupled with amino acetonitrile HCl salt. The crude product was chromatographed on silica gel using 5% methanol in dichloromethane to afford the title compound as a white solid.

WORKUP

后处理

customThe crude product was chromatographed on silica gel using 5% methanol in dichloromethane

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da77d22df8d447e8894bc724a4c46e34
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07279478B2
来源说明: uspto-grants-2007_10

反应 SMILES

[K+].[C:2]([O:6][C:7]([N:9]1[CH2:14][CH2:13][N:12]([C:15]([C:17]2[CH:22]=[CH:21][C:20]([CH:23]([C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)[O:24][CH:25]([CH2:29][CH:30]([CH3:32])[CH3:31])[C:26]([O-])=[O:27])=[CH:19][CH:18]=2)=[O:16])[CH2:11][CH2:10]1)=[O:8])([CH3:5])([CH3:4])[CH3:3].Cl.[NH2:40][CH2:41][C:42]#[N:43]>>[C:42]([CH2:41][NH:40][C:26]([CH:25]([O:24][CH:23]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:20]1[CH:19]=[CH:18][C:17]([C:15]([N:12]2[CH2:11][CH2:10][N:9]([C:7]([O:6][C:2]([CH3:3])([CH3:4])[CH3:5])=[O:8])[CH2:14][CH2:13]2)=[O:16])=[CH:22][CH:21]=1)[CH2:29][CH:30]([CH3:32])[CH3:31])=[O:27])#[N:43]