Acetone → Oxalic Acid

HRID 113668Notes

Reaction equation

HRID 113668 reaction equation
[C:37]([C:38](=[O:39])[OH:40])(=[O:41])[OH:42].[CH3:43][C:44]([CH3:45])=[O:46].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([O:15][c:16]3[n:17][c:18]4[c:19]([n:20]3[CH2:21][c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[cH:29][cH:30][cH:31][cH:32]4)[CH2:13][CH2:14]2)[cH:33][cH:34][cH:35][cH:36]1>>[C:37]([C:38](=[O:39])[OH:40])(=[O:41])[OH:42].[NH:1]1[c:2]2[c:3]([cH:33][cH:34][cH:35][cH:36]2)[C:4](=[O:5])[N:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([O:15][c:16]3[n:17][c:18]4[c:19]([n:20]3[CH2:21][c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[cH:29][cH:30][cH:31][cH:32]4)[CH2:13][CH2:14]2)[C:44]1([CH3:43])[CH3:45]

Participants

5

Reactant 3

HCID 180AcetoneHCID 971Oxalic AcidHCID 14013329HCID 14013329, compound

Product 2

HCID 971Oxalic AcidHCID 14013323HCID 14013323, compound

Sources & evidence

ORD record
ord-51890c5bdf88460db9d3a5b12cdaab01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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