Ethanol → HCID 54496197, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[O:12][c:13]1[cH:14][cH:15][c:16]([C:19]2=[CH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:17][cH:18]1)=[O:27].[CH3:30][CH2:31][OH:32].[Na+:29].[OH-:28]>>[O:3]=[C:4]([CH:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[O:12][c:13]1[cH:14][cH:15][c:16]([C:19]2=[CH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:17][cH:18]1)[OH:27]Participants
5
Sources & evidence
- ORD record
- ord-54dc490600a448058f1be453fa99d5df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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