Dimethyl Ether → 2-(alpha-Cyanobenzylidene)perhydroazepine
Reaction equation
[C:4]1([OH:11])=[N:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5]1.[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:19]#[N:20].[CH3:1][O:2][CH3:3].[N:21]12[CH2:22][CH2:23][CH2:24][CH2:25][CH:26]1[CH:27]=[N:28][CH2:29][CH2:30][CH2:31]2>>[C:4]1(=[C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C:19]#[N:20])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][NH:10]1Participants
5
Sources & evidence
- ORD record
- ord-fa93c26b19cb4e1e945ce7ce8e84957b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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