HRID679643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID312

Chloride

Cl-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID12620

1-Docosanol

C22H46O

HCID19660

Carbonate Ion

CO3-2

HCID71081

Oxalic acid, ion(2-)

C2O4-2

PRODUCTS

产物

HCID3025489

Behenyl benzoate

C29H50O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01ac7dbc678e43b699b1ed33f546cbc0
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:33]([O-:34])(=[O:35])[C:36]([O-:37])=[O:38].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[OH:23].[Cl-:46].[Na+:39].[Na+:40].[Na+:45].[O-:41][C:42](=[O:43])[O-:44].[OH2:49].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH:47][OH:48]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[O:23][C:25](=[O:24])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1