Ammonium → 1-(6-But-2-ynoxypyrimidin-4-yl)-2,6-dimethylazepane
Reaction equation
[CH2:3]([C:4]#[C:5][CH3:6])[OH:7].[Cl-:24].[Cl:8][c:9]1[cH:10][c:11]([N:15]2[CH:16]([CH3:23])[CH2:17][CH2:18][CH2:19][CH:20]([CH3:22])[CH2:21]2)[n:12][cH:13][n:14]1.[H-:1].[NH4+:25].[Na+:2].[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1>>[CH2:3]([C:4]#[C:5][CH3:6])[O:7][c:9]1[cH:10][c:11]([N:15]2[CH:16]([CH3:23])[CH2:17][CH2:18][CH2:19][CH:20]([CH3:22])[CH2:21]2)[n:12][cH:13][n:14]1Participants
8
Sources & evidence
- ORD record
- ord-7d9d7b4ece44485b825fef66d709ab59
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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