HRID2190654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1ccc(NC(=O)c2ccc(N3CCNCC3)nc2)cc1

HCID59318019

未命名化合物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)C4CCC(C(=O)O)CC4)CC3)nc2)c1

HCID59318043

未命名化合物

HCID178501163

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCC(C(=O)N2CCN(c3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cn3)CC2)CC1

HCID59318026

未命名化合物

PROCEDURE

实验过程

4-{4-[5-(4-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid methyl ester was prepared from N-(4-tert-butyl-phenyl)-6-piperazin-1-yl-nicotinamide and trans-1,4-cyclohexane dicarboxylic acid monomethyl ester using a procedure similar to the one described in the synthesis of 4-{4-[5-(3-tert-butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid above. The product was isolated after silica gel column purification with 20-100% EtOAc in hexanes gradient. HRMS m/z calcd for C29H38N4O4 [M+H]+: 507.2966. Found: 507.2969.

WORKUP

后处理

customThe product was isolated
customafter silica gel column purification with 20-100% EtOAc in hexanes gradient

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f0ddf2f8c4248688af18056ce42eebc
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08324385B2
来源说明: uspto-grants-2012_12

反应 SMILES

[C:1]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:25])[C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]3)=[N:15][CH:14]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:26][O:27][C:28]([C@H:30]1[CH2:35][CH2:34][C@H:33]([C:36](O)=[O:37])[CH2:32][CH2:31]1)=[O:29].C(C1C=C(NC(C2C=CC(N3CCN(C(C4CCC(C(O)=O)CC4)=O)CC3)=NC=2)=O)C=CC=1)(C)(C)C>>[CH3:26][O:27][C:28]([CH:30]1[CH2:35][CH2:34][CH:33]([C:36]([N:22]2[CH2:23][CH2:24][N:19]([C:16]3[CH:17]=[CH:18][C:13]([C:12](=[O:25])[NH:11][C:8]4[CH:7]=[CH:6][C:5]([C:1]([CH3:4])([CH3:2])[CH3:3])=[CH:10][CH:9]=4)=[CH:14][N:15]=3)[CH2:20][CH2:21]2)=[O:37])[CH2:32][CH2:31]1)=[O:29]