Acetic Acid → Oxalic Acid

HRID 2342503Notes

Reaction equation

HRID 2342503 reaction equation
[C:1]([C:2](=[O:3])[OH:4])(=[O:5])[OH:6].[CH3:40][OH:41].[CH3:44][C:45](=[O:46])[OH:47].[H:42][H:43].[c:7]1([N:13]([CH2:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][C:20]([O:23][c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)=[CH:21][CH2:22]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[C:1]([C:2](=[O:3])[OH:4])(=[O:5])[OH:6].[c:7]1([N:13]([CH2:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([O:23][c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[CH2:21][CH2:22]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

7

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 971Oxalic AcidHCID 13060436HCID 13060436, compoundHCID 178418361HCID 178418361, compound

Product 2

HCID 971Oxalic AcidHCID 13060437HCID 13060437, compound

Sources & evidence

ORD record
ord-ee3659e04fbf43ed90179c540f8922de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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