Acetone → alpha-(5-Iodopentyl)-3,4-dimethoxy-alpha-[(4-methylphenyl)thio]benzeneacetonitrile
Reaction equation
[CH3:30][C:31](=[O:32])[CH3:33].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([C:8]#[N:9])([c:10]1[cH:11][c:12]([O:18][CH3:19])[c:13]([O:16][CH3:17])[cH:14][cH:15]1)[S:20][c:21]1[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]1.[I-:29].[Na+:28]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][C:7]([C:8]#[N:9])([c:10]1[cH:11][c:12]([O:18][CH3:19])[c:13]([O:16][CH3:17])[cH:14][cH:15]1)[S:20][c:21]1[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]1)[I:29]Participants
5
Sources & evidence
- ORD record
- ord-29b8b450cff146208a03f0a356072e51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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