HRID318994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID12665

2-Piperidone

C5H9NO

HCID4574913

未命名化合物

结构：COCCCOc1cc(CC(CC(NC(=O)OC(C)(C)C)C2CO2)C(C)C)ccc1OC

HCID178495338

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(CC(CC2NC(=O)OC2CN2CCCCC2=O)C(C)C)ccc1OC

HCID178495334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cad4e9a7bb64ca988d4d8113fc7e484
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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