Ethanol → Oxalic Acid

HRID 213209Notes

Reaction equation

HRID 213209 reaction equation
[C:45]([C:46](=[O:47])[O-:48])(=[O:49])[O-:50].[CH3:62][CH2:63][OH:64].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([C:16]#[N:17])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:65].[OH:51][C:52]([C:53](=[O:54])[OH:55])=[O:56].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:45]([C:46](=[O:47])[OH:48])(=[O:49])[OH:50].[NH2:1][CH2:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([C:16]#[N:17])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]1

Participants

9

Reactant 7

HCID 702EthanolHCID 962WaterHCID 971Oxalic AcidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 71081OxalateHCID 178509790HCID 178509790, compound

Product 2

HCID 971Oxalic AcidHCID 178509789HCID 178509789, compound

Sources & evidence

ORD record
ord-bd59ebf2342044ecb00035bca53d4556
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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