HRID2126209

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+

4 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28123

Tetrahydroborate

H4B-

HCID71081

Oxalic acid, ion(2-)

C2O4-2

HCID157350

Hydroxyl

HCID11983377

1-Dodecanol, octyl-

C20H42O

PRODUCTS

生成物

HCID53719708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d616af8b6e49bf91e001e5fdaef0fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:22].[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][CH3:8])[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[OH:21].[Cl-:47].[Na+:23].[Na+:40].[Na+:41].[Na+:46].[O-:42][C:43](=[O:44])[O-:45].[OH2:50].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH:39].[OH:48][OH:49]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[O:21][C:25](=[O:24])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1