Acetic Acid → HCID 68905334, compound
Reaction equation
[CH3:1][C:2]([C:3]#[C:4][c:5]1[cH:6][n:7][n:8](-[c:10]2[c:11]([N+:16]([O-:17])=[O:18])[cH:12][cH:13][cH:14][cH:15]2)[cH:9]1)([CH3:19])[CH3:20].[CH3:27][C:28](=[O:29])[OH:30].[Fe:26].[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1>>[CH3:1][C:2]([C:3]#[C:4][c:5]1[cH:6][n:7][n:8](-[c:10]2[c:11]([NH2:16])[cH:12][cH:13][cH:14][cH:15]2)[cH:9]1)([CH3:19])[CH3:20]Participants
5
Sources & evidence
- ORD record
- ord-e8bfdc81799c44589837e47b0f1a3f3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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