Hydrochloric Acid → 3-fluoro-1-(4-nitro-1H-pyrazol-5-yl)azepan-4-one
Reaction equation
[CH3:48][C:49]#[N:50].[Cl:51][CH2:52][Cl:53].[ClH:47].[F:17][CH:18]1[C:19](=[O:38])[CH:20]([C:33]([O:34][CH2:35][CH3:36])=[O:37])[CH2:21][CH2:22][N:23]([c:25]2[c:26]([N+:30](=[O:31])[O-:32])[cH:27][n:28][nH:29]2)[CH2:24]1.[F:1][CH:2]1[C:3](=[O:4])[CH2:5][CH2:6][N:7]([c:8]2[nH:9][n:10][cH:11][c:12]2[N+:13]([O-:14])=[O:15])[CH2:16]1.[N+:39](=[CH:40][C:41]([O:42][CH2:43][CH3:44])=[O:45])=[N-:46]>>[F:17][CH:18]1[C:19](=[O:38])[CH2:20][CH2:21][CH2:22][N:23]([c:25]2[c:26]([N+:30](=[O:31])[O-:32])[cH:27][n:28][nH:29]2)[CH2:24]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-cfd78f47343e4920a4d18155d23a7b80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…