4-Bromo-2-methylbenzoic acid → (4-Bromo-2-methylphenyl)[4-(5-ethyl-3-methylpyridin-2-yl)piperazin-1-yl]methanone
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH2:12]([CH3:13])[c:14]1[cH:15][c:16]([CH3:26])[c:17]([N:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[n:18][cH:19]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:8])[N:23]2[CH2:22][CH2:21][N:20]([c:17]3[c:16]([CH3:26])[cH:15][c:14]([CH2:12][CH3:13])[cH:19][n:18]3)[CH2:25][CH2:24]2)[cH:9][cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-840ba694abfb455d9643ab1aa51f6a75
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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