Ammonium → 1-(6-chloropyrimidin-4-yl)-2,5-dimethylhexahydro-1H-azepine
Reaction equation
[C:9](=[O:10])([O-:11])[O-:12].[CH3:16][CH:17]1[NH:18][CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]1.[CH3:27][C:28]#[N:29].[Cl-:25].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1.[ClH:15].[K+:13].[K+:14].[NH4+:26]>>[c:2]1([N:18]2[CH:17]([CH3:16])[CH2:23][CH2:22][CH:21]([CH3:24])[CH2:20][CH2:19]2)[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-09c97b66316e4282baeb45dc79d6b09d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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