HRID1135946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID6043

2-Benzoxazolinone

C7H5NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID28486

Lithium ion

Li+

HCID64154

Tricyclo[3.3.1.13,7]decane, 1-chloro-

C10H15Cl

HCID25241629

2-Cyclopropene-1-carboxylic acid

C4H4O2

PRODUCTS

生成物

HCID57552485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d96c6f6df304ad48e4c0b56c3ea1d00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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