HRID202665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID19425061

2,2-Dimethylthiomorpholine

C6H13NS

结构：CC(=O)C1CCC2C3CCC4CC5OC5CC4(C)C3C(=O)CC12C

HCID178465864

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C1CCC2C3CCC4CC(O)C(N5CCSC(C)(C)C5)CC4(C)C3C(=O)CC12C

HCID178465902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dfb9d2936814226bb66b378fcc519d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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