Ethanol → S-[4-(4-Aminobutyl)phenyl] dimethylcarbamothioate
Reaction equation
[CH3:1][N:2]([C:3](=[O:4])[S:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[C:25]2=[O:26])[cH:10][cH:11]1)[CH3:27].[CH3:28][NH2:29].[CH3:30][CH2:31][OH:32]>>[CH3:1][N:2]([C:3](=[O:4])[S:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][CH2:14][CH2:15][NH2:16])[cH:10][cH:11]1)[CH3:27]Participants
4
Sources & evidence
- ORD record
- ord-9437c1f5f5d64a2a9a5ef5ad4cfe845d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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