1-Butanol → Oxalic Acid

HRID 2157583Notes

Reaction equation

HRID 2157583 reaction equation
[Br:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[C:38]([C:39](=[O:40])[O-:41])(=[O:42])[O-:43].[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[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.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37]>>[C:38]([C:39](=[O:40])[OH:41])(=[O:42])[OH:43].[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][O:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]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

8

Reactant 6

HCID 2631-ButanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 68526Benzene, (2-bromoethoxy)-HCID 71081OxalateHCID 132505444-[Bis(4-fluorophenyl)methyl]piperidine

Product 2

HCID 971Oxalic AcidHCID 14407081HCID 14407081, compound

Sources & evidence

ORD record
ord-2bb249bbf9f04552aee2221e060da6f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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