Acetone → 7-Nitro-3-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH2:25]([C:26]#[CH:27])[Br:28].[CH3:29][C:30](=[O:31])[CH3:32].[Cs+:23].[Cs+:24].[N+:1]([O-:2])([OH:3])=[O:4].[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]2[c:11]([cH:17][cH:18]1)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2>>[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]2[c:11]([cH:17][cH:18]1)[CH2:12][CH2:13][N:14]([CH2:27][C:26]#[CH:25])[CH2:15][CH2:16]2Participants
7
Sources & evidence
- ORD record
- ord-5935b7c0114846638fa427d499f39b9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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