HRID1557819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID13400

2-Acetyl-1-cyclohexanone

C8H12O2

HCID15458

tert-Butyl acrylate

C7H12O2

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

PRODUCTS

生成物

HCID10989276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-463527673cc746989683180d30df721d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:11](=[O:12])([O-:13])[O-:14].[C:17]([CH:18]=[CH2:19])(=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[C:1]([CH3:2])(=[O:3])[CH:4]1[C:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH2:9]1.[C:26]([O:27][CH2:28][CH3:29])(=[O:30])[CH3:31].[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl-:38].[K+:15].[K+:16].[OH2:60]>>[C:1]([CH3:2])(=[O:3])[C:4]1([CH2:19][CH2:18][C:17](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[C:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH2:9]1