Methanol → 2-(alpha-Cyano-4-chlorobenzylidene)perhydroazepine
Reaction equation
[C:14]1([OH:21])=[N:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1.[CH3:11][O:12][CH3:13].[CH3:33][OH:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][C:7]#[N:8])[cH:9][cH:10]1.[N:22]12[CH2:23][CH2:24][CH2:25][CH2:26][CH:27]1[CH:28]=[CH:29][CH2:30][CH2:31][NH:32]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]([C:7]#[N:8])=[C:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20]2)[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-088f46f29a644aaf899fe981acff3731
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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