Ethanol → N-cyano-S-methyl-N'-[2-(4-dimethylaminomethyl-2-pyridylmethylthio)ethyl]isothiourea
Reaction equation
[CH3:16][S:17][C:18]([S:19][CH3:20])=[N:21][C:22]#[N:23].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]([CH2:11][S:12][CH2:13][CH2:14][NH2:15])[n:8][cH:9][cH:10]1.[CH3:24][CH2:25][OH:26]>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]([CH2:11][S:12][CH2:13][CH2:14][N:15]=[C:18]([S:17][CH3:16])[NH:21][C:22]#[N:23])[n:8][cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-f81416ddf7224a24996c568b4a8ac463
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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