Calcium Cation → 2-(2-Nitro-4-trifluoromethylphenoxy)isobutyraldehyde
Reaction equation
[Br:20][C:21]([CH:22]=[O:23])([CH3:24])[CH3:25].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[Ca+2:15].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([OH:14])[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[O-:16][C:17](=[O:18])[O-:19]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:14][C:21]([CH:22]=[O:23])([CH3:24])[CH3:25])[cH:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-2f753f6811bf49cb9df1d84a9b13b110
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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