Ethanol → HCID 76639029, compound
Reaction equation
[CH3:31][CH2:32][OH:33].[CH3:3][C:4]([CH:5]([CH3:6])[CH3:7])([c:8]1[n:9][cH:10][c:11]([O:14][CH2:15][c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)[c:22]1[cH:23][cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29]1.[NH2:1][OH:2].[OH2:30]>>[N:1]([OH:2])=[C:26]([c:25]1[cH:24][cH:23][c:22]([C:4]([CH3:3])([CH:5]([CH3:6])[CH3:7])[c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][c:16]3[n:17][cH:18][cH:19][cH:20][cH:21]3)[cH:12][cH:13]2)[cH:29][cH:28]1)[NH2:27]Participants
5
Sources & evidence
- ORD record
- ord-d1100710180544328af73dc36f60faa9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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