Methanol → 5-{2-[4-(3-aminophenyl)piperazino]ethyl}-4-(cyclohexyl methyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Reaction equation
[CH3:32][OH:33].[CH3:34][C:35]#[N:36].[CH:1]1([CH2:7][n:8]2[c:9](=[O:31])[n:10]([CH3:30])[n:11][c:12]2[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][N:18]([c:21]3[cH:22][c:23]([N+:27]([O-:28])=[O:29])[cH:24][cH:25][cH:26]3)[CH2:19][CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([CH2:7][n:8]2[c:9](=[O:31])[n:10]([CH3:30])[n:11][c:12]2[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][N:18]([c:21]3[cH:22][c:23]([NH2:27])[cH:24][cH:25][cH:26]3)[CH2:19][CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-69c93fe0a31f4f6796737693daad23ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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