1-Butanol → Oxalic Acid
Reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[C:43]([C:44](=[O:45])[O-:46])(=[O:47])[O-:48].[CH2:49]([OH:50])[CH2:51][CH2:52][CH3:53].[CH2:54]([Cl:55])[Cl:56].[CH2:57]([O:58][CH2:59][CH3:60])[CH3:61].[CH3:62][OH:63].[F:1][c:2]1[cH:3][c:4]([NH:9][CH:10]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[F:8].[I-:42].[K+:39].[K+:40].[Na+:41].[O:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][CH2:32][CH2:33][Br:34]>>[C:43]([C:44](=[O:45])[OH:46])(=[O:47])[OH:48].[F:1][c:2]1[cH:3][c:4]([NH:9][CH:10]([CH:11]2[CH2:12][CH2:13][N:14]([CH2:33][CH2:32][CH2:31][O:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[F:8]Participants
13
Reactant 11
Product 2
Sources & evidence
- ORD record
- ord-208dce6bc7ba4b84a7f809c7cba94404
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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