HRID808356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(C(=O)OCc2ccccc2)CC1

HCID59752330

4-[(2-Methoxycarbonyl-5-phenyl-thiophen-3-yl)-(4-methyl-cyclohexanecarbonyl)-amino]-piperidine-1-carboxylic acid benzyl ester

C33H38N2O5S

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1

HCID59752320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fcde91c2f714c6f9bf47cd780c235c7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][CH2:13][CH:14]([N:17]([C:18](=[O:19])[CH:20]2[CH2:21][CH2:22][CH:23]([CH3:26])[CH2:24][CH2:25]2)[c:27]2[c:28]([C:38](=[O:39])[O:40][CH3:41])[s:29][c:30](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:31]2)[CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][OH:49]>>[NH:11]1[CH2:12][CH2:13][CH:14]([N:17]([C:18](=[O:19])[CH:20]2[CH2:21][CH2:22][CH:23]([CH3:26])[CH2:24][CH2:25]2)[c:27]2[c:28]([C:38](=[O:39])[O:40][CH3:41])[s:29][c:30](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:31]2)[CH2:15][CH2:16]1