Ammonia → 2-(p-Ethynylphenyl)-5-pentylpyrimidine
Reaction equation
[Br:3][C:4](=[CH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][cH:14][c:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:16][n:17]2)[cH:10][cH:11]1)[Br:23].[CH3:24][CH2:25][O:26][CH2:27][CH3:28].[Fe+3:33].[N+:29]([O-:30])([O-:31])=[O:32].[N+:34]([O-:35])([O-:36])=[O:37].[N+:38]([O-:39])([O-:40])=[O:41].[NH3:1].[Na:2]>>[CH:4]#[C:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][cH:14][c:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:16][n:17]2)[cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-dfd68543052d47fbac2c2884967a03aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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