Acetic Acid → HCID 69048143, compound
Reaction equation
[CH2:30]([O:31][CH2:32][CH3:33])[CH3:34].[CH3:10][C:11](=[O:12])[OH:13].[CH3:1][NH:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[Na:26][C:27]#[N:28].[O:14]=[C:15]1[CH2:16][N:17]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]1.[OH2:29]>>[CH3:1][N:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:15]1([C:27]#[N:28])[CH2:16][N:17]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]1Participants
7
Sources & evidence
- ORD record
- ord-d5450720c66c40dc9c34cf8297f6511d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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