HRID111172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID8857

Ethyl Acetate

C4H8O2

HCID16523

Methyl 2,4-dihydroxybenzoate

C8H8O4

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31374

Dimethylacetamide

C4H9NO

HCID22273065

未命名化合物

PRODUCTS

产物

HCID66990733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a9fca306d9c34976bd9dd054a08910ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][N:56]([CH3:57])[C:58](=[O:59])[CH3:60].[CH3:7][S:8](=[O:9])(=[O:10])[O:11][CH:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1.[I-:35].[K+:5].[K+:6].[Na+:34].[OH:22][c:23]1[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30][c:31]([OH:33])[cH:32]1.[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[O:11]([CH:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[c:31]1[cH:30][cH:29][c:24]([C:25](=[O:26])[O:27][CH3:28])[c:23]([OH:22])[cH:32]1