HRID151616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

HCID522516

Diethylmethoxyborane

C5H13BO

HCID67608359

未命名化合物

PRODUCTS

生成物

HCID67607451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21527423503146e48bdc162be937310c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:29].[CH3:22][O:23][B:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:38][OH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][C:47](=[O:48])[OH:49].[Cl:1][CH2:2][CH:3]([CH2:4][C:5]([CH2:6][C:7](=[O:8])[O:9][C:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([CH3:18])[CH3:19])=[O:20])[OH:21].[Na+:30].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH:31][OH:32]>>[Cl:1][CH2:2][CH:3]([CH2:4][CH:5]([CH2:6][C:7](=[O:8])[O:9][C:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([CH3:18])[CH3:19])[OH:20])[OH:21]