Ethanol → HCID 66753133, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([CH3:19])[n:11][c:12]3[n:13]([c:14]2=[O:15])[cH:16][cH:17][s:18]3)[cH:7][cH:8]1.[CH3:36][CH2:37][O-:38].[CH3:39][CH2:40][OH:41].[CH:20]1([CH2:23][O:24][c:25]2[c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31][c:32]2[O:33][CH3:34])[CH2:21][CH2:22]1.[Na+:35]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([CH:19]=[CH:27][c:26]3[c:25]([O:24][CH2:23][CH:20]4[CH2:21][CH2:22]4)[c:32]([O:33][CH3:34])[cH:31][cH:30][cH:29]3)[n:11][c:12]3[n:13]([c:14]2=[O:15])[cH:16][cH:17][s:18]3)[cH:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-406c809e2baa46adbfb10ca39051b107
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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