HRID2190666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID73702

Ethanesulfonamide

C2H7NO2S

结构：Cc1cc(NC(=O)c2ccc(N3CCC(C(=O)NS(=O)(=O)C(C)(C)C)CC3)nc2)ccc1I

HCID59317984

未命名化合物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)C4CCC(C(=O)O)CC4)CC3)cc2)c1

HCID59318040

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(=O)C1CCC(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3)CC2)CC1

HCID59318127

未命名化合物

PROCEDURE

实验过程

N-(3-tert-Butyl-phenyl)-4-[4-(4-ethanesulfonylaminocarbonyl-cyclohexanecarbonyl)-piperazin-1-yl]-benzamide was prepared from 4-{4-[4-(3-tert-butyl-phenylcarbamoyl)-phenyl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid and ethyl sulfonamide in a manner similar to the one described in the synthesis of 4-(2-methyl-propane-2-sulfonylaminocarbonyl)-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-5′-carboxylic acid (4-iodo-3-methyl-phenyl)-amide above. The product was isolated after silica gel purification with 0-3% MeOH in CH2Cl2 gradient. HRMS m/z calcd for C31H42N4O5S [M+H]+: 583.2949. Found: 583.2945.

WORKUP

后处理

customThe product was isolated
customafter silica gel purification with 0-3% MeOH in CH2Cl2 gradient

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27197368f208427abcad99457c88169d
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:6]=[C:7]([NH:11][C:12]([C:14]2[CH:19]=[CH:18][C:17]([N:20]3[CH2:25][CH2:24][N:23]([C:26]([CH:28]4[CH2:33][CH2:32][CH:31]([C:34](O)=[O:35])[CH2:30][CH2:29]4)=[O:27])[CH2:22][CH2:21]3)=[CH:16][CH:15]=2)=[O:13])[CH:8]=[CH:9][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].[CH2:37]([S:39]([NH2:42])(=[O:41])=[O:40])[CH3:38].IC1C=CC(NC(C2C=CC(N3CCC(C(NS(C(C)(C)C)(=O)=O)=O)CC3)=NC=2)=O)=CC=1C>>[C:1]([C:5]1[CH:6]=[C:7]([NH:11][C:12](=[O:13])[C:14]2[CH:15]=[CH:16][C:17]([N:20]3[CH2:21][CH2:22][N:23]([C:26]([CH:28]4[CH2:33][CH2:32][CH:31]([C:34]([NH:42][S:39]([CH2:37][CH3:38])(=[O:41])=[O:40])=[O:35])[CH2:30][CH2:29]4)=[O:27])[CH2:24][CH2:25]3)=[CH:18][CH:19]=2)[CH:8]=[CH:9][CH:10]=1)([CH3:2])([CH3:4])[CH3:3]