Acetic Acid → 6-[3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropoxy]-1H-pyrimidin-2-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:15]2[CH2:16][CH2:17][N:18]([CH2:21][CH:22]([CH2:23][O:24][c:25]3[n:26][c:27]([S:31][CH3:32])[n:28][cH:29][cH:30]3)[CH3:33])[CH2:19][CH2:20]2)[cH:8][c:9]([CH:11]2[CH2:12][CH2:13][CH2:14]2)[n:10]1.[C:36]([O-:37])(=[O:38])[OH:39].[CH3:41][C:42](=[O:43])[OH:44].[Na+:40].[OH:34][OH:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:15]2[CH2:16][CH2:17][N:18]([CH2:21][CH:22]([CH2:23][O:24][c:25]3[n:26][c:27]([OH:37])[n:28][cH:29][cH:30]3)[CH3:33])[CH2:19][CH2:20]2)[cH:8][c:9]([CH:11]2[CH2:12][CH2:13][CH2:14]2)[n:10]1Participants
6
Sources & evidence
- ORD record
- ord-3547da191c8f47d4ba5c32f815bbab2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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