Ammonium → 1-(6-chloro-5-fluoro pyrimidin-4-yl)-2,5-dimethylhexahydro-1H-azepine
Reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[CH3:17][CH:18]1[NH:19][CH2:20][CH2:21][CH:22]([CH3:25])[CH2:23][CH2:24]1.[CH3:28][C:29]#[N:30].[Cl-:26].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:9])[c:7]1[F:8].[ClH:16].[K+:14].[K+:15].[NH4+:27]>>[c:2]1([N:19]2[CH:18]([CH3:17])[CH2:24][CH2:23][CH:22]([CH3:25])[CH2:21][CH2:20]2)[n:3][cH:4][n:5][c:6]([Cl:9])[c:7]1[F:8]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e9d3908af522460ab2c0e44c858d41a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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