Ethanol → HCID 21429256, compound
Reaction equation
[C:14]([O:15][CH2:16][CH3:17])([O:18][CH2:20][CH3:21])=[O:19].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12]#[N:13])[cH:9][cH:10]1.[CH3:23][CH2:24][O-:25].[CH3:27][CH2:28][OH:29].[Na+:22].[Na:26]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12]#[N:13])[C:14]([O:15][CH2:16][CH3:17])=[O:18])[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-287ff8c5d69a40bfb2ff73515f0dff1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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