Acetone → Oxalic Acid

HRID 196331Notes

Reaction equation

HRID 196331 reaction equation
[C:32]([C:33](=[O:34])[OH:35])(=[O:36])[OH:37].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:30][OH:31].[CH3:38][C:39](=[O:40])[CH3:41].[NH:14]1[CH2:15][CH2:16][CH:17]([n:20]2[c:21](=[O:29])[nH:22][c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[CH2:18][CH2:19]1.[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:32]([C:33](=[O:34])[OH:35])(=[O:36])[OH:37].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[NH:7][CH2:9][CH2:8][N:14]2[CH2:15][CH2:16][CH:17]([n:20]3[c:21](=[O:29])[nH:22][c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

8

Reactant 6

HCID 180AcetoneHCID 241BenzeneHCID 887MethanolHCID 971Oxalic AcidHCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 21428987HCID 21428987, compound

Product 2

HCID 971Oxalic AcidHCID 21428988HCID 21428988, compound

Sources & evidence

ORD record
ord-27f1698a97944e36b34512ecbaa74b71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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