Citric Acid → 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
Reaction equation
[CH2:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[CH2:9]([CH:10]=[CH:11][CH2:12][OH:13])[OH:14].[CH3:1][CH:2]([CH2:3][CH2:4][C:5]([CH3:6])=[O:7])[CH3:8].[OH2:36].[OH:15][C:16]([CH2:17][C:18]([C:19](=[O:20])[OH:21])([CH2:22][C:23](=[O:24])[OH:25])[OH:26])=[O:27].[OH:28][c:29]1[cH:30][cH:31][c:32]([OH:33])[cH:34][cH:35]1>>[CH3:1][CH:2]([CH2:3][CH2:4][C:5]1([CH3:6])[O:7][CH2:9][CH:10]=[CH:11][CH2:12][O:13]1)[CH3:8]Participants
7
Sources & evidence
- ORD record
- ord-5fceab8a6e9b445ab36d27d438aa576e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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