Acetic Acid → 3-Amidino-1,2,4,5-tetrahydro-11-methyl-3H-azepino[4,5-b]quinoline
Reaction equation
[CH3:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2.[CH3:20][C:21](=[O:22])[OH:23].[CH3:24][CH2:25][OH:26].[NH2:17][C:18]#[N:19].[OH2:27]>>[CH3:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[CH2:12][CH2:13][N:14]([C:18](=[NH:17])[NH2:19])[CH2:15][CH2:16]2Participants
6
Sources & evidence
- ORD record
- ord-2ffc239bf8894ab6b0cc47782379d55d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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