HRID695322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID28486

Lithium ion

Li+

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID349728

4-Phenyl-1,3-oxazolidin-2-one

C9H9NO2

HCID25241629

2-Cyclopropene-1-carboxylic acid

C4H4O2

PRODUCTS

生成物

HCID178519089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7af64496bdf49bf8291c884dc58f583
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:14]([Cl:15])(=[O:16])[C:17]([CH3:18])([CH3:19])[CH3:20].[C:56]([O:57][CH3:58])([CH3:59])([CH3:60])[CH3:61].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:39][N:40]([CH3:41])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[CH:1]1([C:4](=[O:5])[OH:6])[CH:2]=[CH:3]1.[Cl-:21].[Li+:22].[OH:35][CH2:36][CH2:37][OH:38].[c:23]1([CH:29]2[NH:30][C:31](=[O:34])[O:32][CH2:33]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH:1]1([C:4](=[O:6])[N:30]2[CH:29]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:33][O:32][C:31]2=[O:34])[CH:2]=[CH:3]1