Acetic Acid → HCID 68313314, compound
Reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[CH3:28][n:29]1[c:30]([CH:34]=[O:35])[n:31][cH:32][cH:33]1.[O:1]=[c:2]1[n:3]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:4]2[n:5][c:6](-[c:11]3[cH:12][n:13][n:14]4[c:15]3[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]4)[n:7][cH:8][c:9]2[nH:10]1>>[c:2]1(-[c:30]2[n:29]([CH3:28])[cH:33][cH:32][n:31]2)[n:3]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:4]2[n:5][c:6](-[c:11]3[cH:12][n:13][n:14]4[c:15]3[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]4)[n:7][cH:8][c:9]2[n:10]1Participants
4
Sources & evidence
- ORD record
- ord-f2415d6e52c84c57a4c0a99835b90d2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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