Citric Acid → HCID 13785667, compound

Reaction equation

[C:18](=[O:19])([O-:20])[O-:21].[CH2:38]([OH:39])[CH3:40].[Cl:1][c:2]1[cH:3][c:4]([CH3:17])[c:5]([O:11][S:12]([CH:13]=[CH2:14])(=[O:15])=[O:16])[cH:6][c:7]1[N+:8](=[O:9])[O-:10].[K+:22].[K+:23].[OH2:37].[OH:24][C:25]([CH2:26][C:27]([C:28](=[O:29])[OH:30])([CH2:31][C:32](=[O:33])[OH:34])[OH:35])=[O:36]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:17])[c:5]([OH:11])[cH:6][c:7]1[N+:8](=[O:9])[O-:10]

Participants

Reactant 6

HCID 311Citric Acid

HCID 702Ethanol

HCID 813Potassium Cation2×

HCID 962Water

HCID 19660Carbonate Ion

HCID 57687233HCID 57687233, compound

Product 1

HCID 13785667HCID 13785667, compound

Sources & evidence

ORD record: ord-246715b817cb4bd9b9d820c99a5384b9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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