Ammonium → 1-(6-(2-butynyloxy)pyrimidin-4-yl)-2,5-dimethyl hexahydro-1H-azepine
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][CH:19]([CH3:22])[CH2:20][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][CH:19]([CH3:22])[CH2:20][CH2:21]2)[n:12][cH:13][n:14]1Participants
8
Sources & evidence
- ORD record
- ord-aa53fcc6a1a149daab6f4a65bf76cb47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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