1-Butanol → Oxalic Acid

HRID 286822Notes

Reaction equation

HRID 286822 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[C:45]([C:46](=[O:47])[O-:48])(=[O:49])[O-:50].[CH2:51]([OH:52])[CH2:53][CH2:54][CH3:55].[CH:56]([Cl:57])([Cl:58])[Cl:59].[Cl:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1.[I-:44].[K+:41].[K+:42].[K+:43]>>[C:45]([C:46](=[O:47])[OH:48])(=[O:49])[OH:50].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][N:12]([CH2:23][CH2:24][CH2:25][O:26][c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1

Participants

10

Reactant 8

HCID 2631-ButanolHCID 813Potassium Cation3×HCID 6212ChloroformHCID 19660Carbonate IonHCID 30165Iodide IonHCID 71081OxalateHCID 132505444-[Bis(4-fluorophenyl)methyl]piperidineHCID 14407179HCID 14407179, compound

Product 2

HCID 971Oxalic AcidHCID 14407138HCID 14407138, compound

Sources & evidence

ORD record
ord-59126787a2ea46cb9c51080b37d217e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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