Toluene → 2,2-diethyl-3,4-dihydro-4-oxo-2H-1-benzopyran-6-carbonitrile
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10][c:11]1[OH:12].[CH2:19]1[CH2:20][NH:21][CH2:22][CH2:23]1.[CH3:13][CH2:14][C:15]([CH2:16][CH3:17])=[O:18].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36]>>[C:1]1(=[O:3])[CH2:2][C:15]([CH2:14][CH3:13])([CH2:16][CH3:17])[O:12][c:11]2[c:4]1[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]2Participants
6
Sources & evidence
- ORD record
- ord-16ca980db0c342ada6b05cd89fb49000
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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