Acetic Acid → HCID 22247174, compound
Reaction equation
[C:23]([OH:24])(=[O:25])[CH3:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([NH:17][CH2:18][CH:19]([CH3:20])[OH:21])[c:12]([C:13]#[N:14])[cH:15][cH:16]1.[OH2:22].[n:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([NH:17][CH2:18][CH:19]([CH3:20])[OH:21])[c:12]([CH:13]=[O:25])[cH:15][cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-b8b11cfd9f9046648b85e6236c5e64da
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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