Ethanol → HCID 67259073, compound
Reaction equation
[CH2:31]([OH:32])[CH3:33].[CH3:1][n:2]1[c:3]([CH3:28])[n:4][c:5]2[n:6][c:7]([CH3:27])[c:8]([CH:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH3:26])[c:9](-[c:11]3[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]3)[c:10]12.[CH3:34][OH:35].[Na+:30].[OH-:29]>>[CH3:1][n:2]1[c:3]([CH3:28])[n:4][c:5]2[n:6][c:7]([CH3:27])[c:8]([CH:18]([C:19](=[O:20])[OH:21])[CH2:24][CH2:25][CH3:26])[c:9](-[c:11]3[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]3)[c:10]12Participants
6
Sources & evidence
- ORD record
- ord-21c85bbe0d1d46b88d805c87cdf660fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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