Benzoic Acid → Benzoic Acid
Reaction equation
[CH3:33][OH:34].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([n:9]([CH3:11])[c:10]12)[CH2:12][CH2:13][N:14]([CH2:17][c:18]1[n:19][cH:20][nH:21][c:22]1[CH3:23])[C:15]3=[O:16].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([n:9]([CH3:11])[c:10]12)[CH2:12][CH2:13][N:14]([CH2:17][c:18]1[n:19][cH:20][nH:21][c:22]1[CH3:23])[C:15]3=[O:16].[O:24]=[C:25]([OH:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1Participants
5
Sources & evidence
- ORD record
- ord-e0f252c88a1a45ce991927eee641b8f1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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