Water → 3-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione
Reaction equation
[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[NH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][N:20]([c:23]2[n:24][cH:25][cH:26][cH:27][n:28]2)[CH2:21][CH2:22]1.[OH2:36].[S:1]1[CH:2]2[CH2:3][CH2:4][CH2:5][CH:6]1[C:7](=[O:8])[O:9][C:10]2=[O:11]>>[S:1]1[CH:2]2[CH2:3][CH2:4][CH2:5][CH:6]1[C:7](=[O:9])[N:12]([CH2:13][CH2:14][CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][N:20]([c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[CH2:21][CH2:22]1)[C:10]2=[O:11]Participants
5
Sources & evidence
- ORD record
- ord-6def8cb1cd22468f9a16d12a860b0c11
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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