Hydrochloric Acid → 1-Ethyl-4-chloro-5-cyano-2,3,6,7-tetrahydro-1H-azepine
Reaction equation
[CH2:12]([CH3:13])[I:14].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH:15]([Cl:16])([Cl:17])[Cl:18].[Cl:2][C:3]1=[C:9]([C:10]#[N:11])[CH2:8][CH2:7][NH:6][CH2:5][CH2:4]1.[ClH:1]>>[Cl:2][C:3]1=[C:9]([C:10]#[N:11])[CH2:8][CH2:7][N:6]([CH2:12][CH3:13])[CH2:5][CH2:4]1Participants
6
Sources & evidence
- ORD record
- ord-e45aaeafbd9b4c1fbb1b988f0acc63ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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