1-(3-(Trifluoromethyl)phenyl)piperazine → 8-(1-{2-Oxo-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[F:27][C:28]([c:29]1[cH:30][c:31]([N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:32][cH:33][cH:34]1)([F:41])[F:42].[O:1]=[c:2]1[n:3]([CH2:24][CH2:25][CH3:26])[c:4](=[O:23])[c:5]2[nH:6][c:7](-[c:14]3[cH:15][n:16][n:17]([CH2:19][C:20](=[O:21])[Cl:22])[cH:18]3)[n:8][c:9]2[n:10]1[CH2:11][CH2:12][CH3:13]>>[O:1]=[c:2]1[n:3]([CH2:24][CH2:25][CH3:26])[c:4](=[O:23])[c:5]2[nH:6][c:7](-[c:14]3[cH:15][n:16][n:17]([CH2:19][C:20](=[O:21])[N:38]4[CH2:37][CH2:36][N:35]([c:31]5[cH:30][c:29]([C:28]([F:27])([F:41])[F:42])[cH:34][cH:33][cH:32]5)[CH2:40][CH2:39]4)[cH:18]3)[n:8][c:9]2[n:10]1[CH2:11][CH2:12][CH3:13]Participants
4
Sources & evidence
- ORD record
- ord-df478d5bd74247708f09771e6b341329
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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