Citric Acid → HCID 57421979, compound

Reaction equation

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

Participants

Reactant 6

HCID 311Citric Acid

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 8857Ethyl Acetate

HCID 312751,4-Dioxane

HCID 57421980HCID 57421980, compound

Product 1

HCID 57421979HCID 57421979, compound

Sources & evidence

ORD record: ord-6bfe56ed69df480bb6b175147d28e18d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…