Hydrochloric Acid → 6-cyano-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Reaction equation
[C-:24]#[N:25].[CH3:26][CH2:27][OH:28].[ClH:1].[K:21][C:22]#[N:23].[N:17]([O-:18])=[O:19].[NH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:16]1)[C:8](=[O:15])[CH:9]([CH3:14])[C:10]([CH3:12])([CH3:13])[O:11]2.[Na+:20].[OH2:29]>>[c:3]1([C:22]#[N:23])[cH:4][cH:5][c:6]2[c:7]([cH:16]1)[C:8](=[O:15])[CH:9]([CH3:14])[C:10]([CH3:12])([CH3:13])[O:11]2Participants
9
Sources & evidence
- ORD record
- ord-7a0c8e27a0374212a749e678c0f8d8f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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