Citric Acid → HCID 69243805, compound

HRID 104346Notes

Reaction equation

HRID 104346 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:1][c:2]1[cH:3][c:4]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[c:5]([CH3:21])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1.[Na+:32].[OH-:31].[OH:33][OH:34].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[Cl:1][c:2]1[cH:3][c:4]([OH:35])[c:5]([CH3:21])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 69244174HCID 69244174, compound

Product 1

HCID 69243805HCID 69243805, compound

Sources & evidence

ORD record
ord-3a6f317deeb549c190ed5dbf422f0bde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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