3-Methyl-4-(4-methylpiperazin-1-yl)aniline → (+/-)-2-allyl-1-{6-[(1RS)-1-hydroxyethyl]pyridin-2-yl}-6-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[n:4]1[n:5](-[c:16]2[n:17][c:18]([CH:22]([CH3:23])[OH:24])[cH:19][cH:20][cH:21]2)[c:6]2[n:7][c:8]([S:14][CH3:15])[n:9][cH:10][c:11]2[c:12]1=[O:13].[CH3:25][c:26]1[cH:27][c:28]([NH2:29])[cH:30][cH:31][c:32]1[N:33]1[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]1>>[CH2:1]([CH:2]=[CH2:3])[n:4]1[n:5](-[c:16]2[n:17][c:18]([CH:22]([CH3:23])[OH:24])[cH:19][cH:20][cH:21]2)[c:6]2[n:7][c:8]([NH:29][c:28]3[cH:27][c:26]([CH3:25])[c:32]([N:33]4[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]4)[cH:31][cH:30]3)[n:9][cH:10][c:11]2[c:12]1=[O:13]Participants
3
Sources & evidence
- ORD record
- ord-77f92bba535c4ee1a0189bcefd76c287
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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