Acetic Acid → HCID 15406816, compound
Reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[c:3]([C:20]#[N:21])[c:4]2[n:9]([c:10]1-[c:11]1[cH:12][n:13][cH:14][cH:15][cH:16]1)[CH2:8][CH2:7][C:6]([Cl:17])([Cl:18])[C:5]2=[O:19]>>[Cl:1][c:2]1[c:3]([C:20]#[N:21])[c:4]2[n:9]([c:10]1-[c:11]1[cH:12][n:13][cH:14][cH:15][cH:16]1)[CH2:8][CH2:7][CH2:6][C:5]2=[O:19]Participants
4
Sources & evidence
- ORD record
- ord-d2123eaf64a24c449d8d00a1859831d1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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