Ethanol → (3aRS,4SR,9aSR)-4-(3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindolin-2-yl)-2-butanone
Reaction equation
[CH3:20][C:21](=[O:22])[CH:23]=[CH2:24].[CH3:25][CH2:26][OH:27].[c:1]1([CH:7]2[c:8]3[c:9]([cH:16][cH:17][cH:18][cH:19]3)[CH2:10][CH:11]3[CH2:12][NH:13][CH2:14][CH:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[c:8]3[c:9]([cH:16][cH:17][cH:18][cH:19]3)[CH2:10][CH:11]3[CH2:12][N:13]([CH2:24][CH2:23][C:21]([CH3:20])=[O:22])[CH2:14][CH:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-d18e0c1fd6e849d2a076b3966bb7a9e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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