HRID2324468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID6395

Methanesulfonic acid

CH4O3S

HCID8174

1-Decanol

C10H22O

2 次

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

HCID19660

Carbonate

CO3-2

HCID24648

Sulfuryl chloride

Cl2O2S

PRODUCTS

生成物

HCID228932

ethyl 4-decylpiperazine-1-carboxylate

C17H34N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-612900e80aaa48c192b6e58c9724951a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[OH:27].[CH2:28]([OH:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:12][S:13]([OH:14])(=[O:15])=[O:16].[CH3:51][CH2:52][OH:53].[CH4:44].[K+:45].[K+:46].[N:1]1([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O-:47][C:48]([O-:49])=[O:50].[S:39]([Cl:40])([Cl:41])(=[O:42])=[O:43]>>[N:1]1([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:2][CH2:3][N:4]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:5][CH2:6]1