Ammonium → 1-(6-But-2-ynoxy-5-fluoropyrimidin-4-yl)-2,6-dimethylazepane
Reaction equation
[CH2:3]([C:4]#[C:5][CH3:6])[OH:7].[Cl-:25].[Cl:8][c:9]1[c:10]([F:24])[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+:26].[Na+:2].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[CH2:3]([C:4]#[C:5][CH3:6])[O:7][c:9]1[c:10]([F:24])[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-b0eb27664417499895307cc8f563b4ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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