Citric Acid → HCID 58508681, compound

HRID 1207454Notes

Reaction equation

HRID 1207454 reaction equation
[C:9](=[O:10])([CH3:11])[O:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[c:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28][c:29](-[c:31]3[c:32]([O:37][CH3:38])[cH:33][cH:34][cH:35][cH:36]3)[cH:30]2)[cH:39][c:40]([N:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:41][cH:42]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Na+:8].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[OH-:7].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61]>>[OH:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[c:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28][c:29](-[c:31]3[c:32]([O:37][CH3:38])[cH:33][cH:34][cH:35][cH:36]3)[cH:30]2)[cH:39][c:40]([N:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:41][cH:42]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 66990217HCID 66990217, compound

Product 1

HCID 58508681HCID 58508681, compound

Sources & evidence

ORD record
ord-919fb4e418da4d02b3134d335057743e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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