HRID2190653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59318071

未命名化合物

结构：COC(=O)C1CCC(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cn3)CC2)CC1

HCID59318085

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(I)c4)cn3)CC2)CC1

HCID59318147

未命名化合物

PROCEDURE

实验过程

4-{4-[5-(3-Iodo-4-methyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid methyl ester was prepared from N-(3-iodo-4-methyl-phenyl)-6-piperazin-1-yl-nicotinamide and trans-1,4-cyclohexane dicarboxylic acid monomethyl ester in a manner similar to the one described in the synthesis of 4-{4-[5-(3-tert-butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexane-carboxylic acid methyl ester above. The product was obtained after a silica gel column purification with a 50-100% EtOAc in hexanes gradient. HRMS m/z calcd for C26H31N4O4I [M+H]+: 591.1463. Found: 591.1461.

WORKUP

后处理

customThe product was obtained
customafter a silica gel column purification with a 50-100% EtOAc in hexanes gradient

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e00f3df3cbbf402b8c777677230a98a0
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

[I:1][C:2]1[CH:3]=[C:4]([NH:9][C:10](=[O:23])[C:11]2[CH:16]=[CH:15][C:14]([N:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[N:13][CH:12]=2)[CH:5]=[CH:6][C:7]=1[CH3:8].[CH3:24][O:25][C:26]([C@H:28]1[CH2:33][CH2:32][C@H:31]([C:34](O)=[O:35])[CH2:30][CH2:29]1)=[O:27].COC(C1CCC(C(N2CCN(C3C=CC(C(=O)NC4C=CC=C(C(C)(C)C)C=4)=CN=3)CC2)=O)CC1)=O>>[CH3:24][O:25][C:26]([CH:28]1[CH2:33][CH2:32][CH:31]([C:34]([N:20]2[CH2:19][CH2:18][N:17]([C:14]3[CH:15]=[CH:16][C:11]([C:10](=[O:23])[NH:9][C:4]4[CH:5]=[CH:6][C:7]([CH3:8])=[C:2]([I:1])[CH:3]=4)=[CH:12][N:13]=3)[CH2:22][CH2:21]2)=[O:35])[CH2:30][CH2:29]1)=[O:27]