Benzene → 1,3,3-Trimethyl-3,4-dihydroisoquinoline
Reaction equation
[CH3:17][C:18]#[N:19].[CH3:6][C:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([CH3:15])[OH:16].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:6][C:7]1([CH3:15])[CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[C:18]([CH3:17])=[N:19]1Participants
5
Sources & evidence
- ORD record
- ord-9e4bafdbf1bf469d81db35dd818da88e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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