HRID2331705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID19660

Carbonate

CO3-2

HCID28123

Tetrahydroborate

H4B-

反应SMILES：Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

HCID9825241

未命名化合物

PRODUCTS

产物

HCID13605835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c88fffef014c40cdbd7ab869ac359744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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