3-Methyl-2-pyrazolin-5-one → 5-methyl-2-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2,4-dihydro-3H-pyrazol-3-one
Reaction equation
[CH3:27][C:28]1=[N:32][NH:31][C:30](=[O:33])[CH2:29]1.[I:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([c:16]3[c:17]4[cH:18][cH:19][c:20]([CH3:26])[n:21][c:22]4[cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[cH:5][cH:6][cH:7]1>>[c:2]1([N:31]2[C:30](=[O:33])[CH2:29][C:28]([CH3:27])=[N:32]2)[cH:3][c:4]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([c:16]3[c:17]4[cH:18][cH:19][c:20]([CH3:26])[n:21][c:22]4[cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[cH:5][cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-e41ec07ab1f64e29adda9411b02a9d71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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