Ethanol → alpha-(5-Aminopentyl)-3,4-dimethoxy-alpha-[(4-methylphenyl)thio]benzeneacetonitrile
Reaction equation
[CH2:41]([OH:42])[CH3:43].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]2[C:20](=[O:21])[c:22]3[c:23]([cH:24][cH:25][cH:26][cH:27]3)[C:28]2=[O:29])[S:30][c:31]2[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[NH2:39][NH2:40].[OH2:38]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][NH2:19])[S:30][c:31]2[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]2)[cH:6][cH:7][c:8]1[O:9][CH3:10]Participants
5
Sources & evidence
- ORD record
- ord-11e2b82bf3ae49249bfe339a72e302fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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