Acetone → HCID 45122267, compound

HRID 2314971Notes

Reaction equation

HRID 2314971 reaction equation
[C:14]([CH:15]=[O:16])(=[O:17])[OH:18].[C:19](=[O:20])([OH:21])[O-:22].[C:24](=[O:25])([OH:26])[O-:27].[CH3:34][C:35](=[O:36])[CH3:37].[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[NH2:12])[cH:5][c:6]([F:8])[cH:7]1.[Na+:23].[Na+:33].[OH2:13].[OH2:38].[S:28](=[O:29])(=[O:30])([OH:31])[O-:32]>>[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[NH:12][CH:15]([C:14](=[O:17])[OH:18])[OH:16])[cH:5][c:6]([F:8])[cH:7]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 760Glyoxylic AcidHCID 769Bicarbonate Ion2×HCID 923Sodium ion2×HCID 962Water2×HCID 61778Sulfate, hydrogenHCID 21644871HCID 21644871, compound

Product 1

HCID 45122267HCID 45122267, compound

Sources & evidence

ORD record
ord-f2a3e6e45d3d4f3589469a6b26d653b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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