HRID1144753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID522516

Diethylmethoxyborane

C5H13BO

结构：CC(C)(C)OC(=O)CC(=O)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID19778647

未命名化合物

PRODUCTS

生成物

HCID11374654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08b315b2a8b24f9390f318b6fb0051b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH4-:47].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:40][O:41][B:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:50][C:51](=[O:52])[OH:53].[CH3:54][OH:55].[Na+:48].[OH2:49].[c:1]1([C:7]([O:8][CH2:9][CH:10]([CH2:11][C:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[OH:22])([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([O:8][CH2:9][CH:10]([CH2:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[OH:21])[OH:22])([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1