1-Butanol → Oxalic Acid

HRID 2318758Notes

Reaction equation

HRID 2318758 reaction equation
[C:42]([C:43](=[O:44])[O-:45])(=[O:46])[O-:47].[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[Cl:23][CH2:24][CH2:25][CH:26]1[CH2:27][CH2:28][N:29]([CH3:33])[C:30](=[O:32])[O:31]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1.[I-:41].[K+:40].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39]>>[C:42]([C:43](=[O:44])[OH:45])(=[O:46])[OH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][N:13]([CH2:24][CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([CH3:33])[C:30](=[O:32])[O:31]3)[CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1

Participants

10

Reactant 8

HCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 71081OxalateHCID 11208889Bis(4-fluorophenyl)(piperidin-4-yl)methanolHCID 1983671426409-02-9

Product 2

HCID 971Oxalic AcidHCID 14698766HCID 14698766, compound

Sources & evidence

ORD record
ord-f8e89044624b4f9c95f08bc46c5cae92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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