Ethylamine → N-cyano-N'-{2-[2-(5-dimethylaminomethyl-2-furyl)ethylthio]ethyl}-S-methylisothiourea
Reaction equation
[C:1]1(=[O:2])[N:5]([CH2:6][CH2:7][S:8][CH2:9][CH2:10][c:11]2[o:12][c:13]([CH2:16][N:17]([CH3:18])[CH3:19])[cH:14][cH:15]2)[C:3](=[O:4])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21.[C:31](#[N:32])[N:33]=[C:34]([S:35][CH3:36])[S:37][CH3:38].[CH3:28][CH2:29][NH2:30].[NH2:26][NH2:27]>>[N:5]([CH2:6][CH2:7][S:8][CH2:9][CH2:10][c:11]1[o:12][c:13]([CH2:16][N:17]([CH3:18])[CH3:19])[cH:14][cH:15]1)=[C:34]([NH:33][C:31]#[N:32])[S:37][CH3:38]Participants
5
Sources & evidence
- ORD record
- ord-423cf7c51b9148efa2f02ab91fad05b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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