HRID2099649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1sc(C2=CCC(C)(C)CC2)cc1NC1CCC(n2cncn2)CC1

HCID57795476

未命名化合物

HCID178461265

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C2=CCC(C)(C)CC2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCC(n2cncn2)CC1

HCID178499287

未命名化合物

收率 60%

PROCEDURE

实验过程

5-(4,4-Dimethyl-cyclohex-1-enyl)-3-(4-[1,2,4]triazol-1-yl-cyclohexylamino)thiophene-2-carboxylic acid methyl ester (0.800 g, 2 mmol) was acylated with with trans-4-methylcyclohexyl carboxylic acid chloride as previously described (example 1, step II) to give 5-(4,4-Dimethyl-cyclohex-1-enyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(4-[1,2,4]triazol-1-yl-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester (0.640 g, 60%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e56fa27a539f4c5a9739f3e6c1f4a6af
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07569600B2
来源说明: uspto-grants-2009_08

反应 SMILES

[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([C:22]2[CH2:27][CH2:26][C:25]([CH3:29])([CH3:28])[CH2:24][CH:23]=2)=[CH:8][C:9]=1[NH:10][CH:11]1[CH2:16][CH2:15][CH:14]([N:17]2[CH:21]=[N:20][CH:19]=[N:18]2)[CH2:13][CH2:12]1)=[O:4].[CH3:30][C@H:31]1[CH2:36][CH2:35][C@H:34]([C:37](Cl)=[O:38])[CH2:33][CH2:32]1>>[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([C:22]2[CH2:27][CH2:26][C:25]([CH3:29])([CH3:28])[CH2:24][CH:23]=2)=[CH:8][C:9]=1[N:10]([C:37]([C@H:34]1[CH2:35][CH2:36][C@H:31]([CH3:30])[CH2:32][CH2:33]1)=[O:38])[CH:11]1[CH2:16][CH2:15][CH:14]([N:17]2[CH:21]=[N:20][CH:19]=[N:18]2)[CH2:13][CH2:12]1)=[O:4]