HRID169390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID28123

Tetrahydroborate

H4B-

HCID263182

tetrahydropyranyl ether

C10H18O3

HCID54370785

未命名化合物

PRODUCTS

生成物

HCID4860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a061ebeb5840538b593067c4381f61
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-:52].[CH3:54][OH:55].[CH3:56][CH2:57][OH:58].[CH:14](=[O:15])[C:16](=[CH:17][CH2:18][CH2:19][C:20](=[CH:21][CH2:22][OH:23])[CH3:24])[CH2:25][CH2:26][CH:27]=[C:28]([CH2:29][CH2:30][CH:31]=[C:32]([CH3:33])[CH3:34])[CH3:35].[Na+:47].[Na+:53].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[O:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][O:13]1.[OH2:59].[OH:48][C:49](=[O:50])[O-:51].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[CH2:14]([OH:15])[C:16](=[CH:17][CH2:18][CH2:19][C:20](=[CH:21][CH2:22][OH:23])[CH3:24])[CH2:25][CH2:26][CH:27]=[C:28]([CH2:29][CH2:30][CH:31]=[C:32]([CH3:33])[CH3:34])[CH3:35]