Acetic Acid → HCID 178471520, compound
Reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[Fe:31].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([c:8](=[O:24])[n:9]([CH:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[s:10]2)[cH:25][cH:26]1>>[NH2:1][c:4]1[cH:5][c:6]2[c:7]([c:8](=[O:24])[n:9]([CH:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[s:10]2)[cH:25][cH:26]1Participants
4
Sources & evidence
- ORD record
- ord-99929f0022c0475da03c7abe8d8702db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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