HRID1240339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID366926

Propanoic acid, 2-(4-hydroxyphenoxy)-, methyl ester

C10H12O4

HCID2758223

2,7-Dichloroquinoxaline

C8H4Cl2N2

PRODUCTS

生成物

结构：COC(=O)C(C)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1

HCID157156

Methyl 2-{4-[(7-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate

C18H15ClN2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f443933ebc774ff795fe268e99294e39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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