1-Butanol → Oxalic Acid

HRID 1220723Notes

Reaction equation

HRID 1220723 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[C:49]([C:50](=[O:51])[O-:52])(=[O:53])[O-:54].[CH2:55]([OH:56])[CH2:57][CH2:58][CH3:59].[CH2:60]([O:61][CH2:62][CH3:63])[CH3:64].[CH3:65][OH:66].[Cl:25][CH2:26][CH2:27][CH2:28][O:29][c:30]1[c:31]([O:39][CH3:40])[cH:32][c:33]([C:36]([CH3:37])=[O:38])[cH:34][cH:35]1.[ClH:1].[F:2][c:3]1[c:4]([CH:10]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[c:17]2[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]([F:9])[cH:8]1.[I-:48].[K+:45].[K+:46].[K+:47]>>[C:49]([C:50](=[O:51])[OH:52])(=[O:53])[OH:54].[F:2][c:3]1[c:4]([CH:10]([CH:11]2[CH2:12][CH2:13][N:14]([CH2:26][CH2:27][CH2:28][O:29][c:30]3[c:31]([O:39][CH3:40])[cH:32][c:33]([C:36]([CH3:37])=[O:38])[cH:34][cH:35]3)[CH2:15][CH2:16]2)[c:17]2[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]([F:9])[cH:8]1

Participants

12

Reactant 10

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 887MethanolHCID 3283Diethyl EtherHCID 19660Carbonate IonHCID 30165Iodide IonHCID 71081OxalateHCID 73142644-(3-Chloropropoxy)-3-methoxyacetophenoneHCID 15020350HCID 15020350, compound

Product 2

HCID 971Oxalic AcidHCID 15093862HCID 15093862, compound

Sources & evidence

ORD record
ord-aebdb6f51a7f436e9e1fc4332037fcc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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