Acetic Acid → 6-Chloro-8-trifluoromethoxychroman-4-one
Reaction equation
[C:22]([OH:23])(=[O:24])[CH3:25].[CH3:27][C:28]#[N:29].[Ca+2:3].[Cl:1][O-:2].[Cl:4][O-:5].[F:6][C:7]([O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[O:17][CH2:16][CH2:15][C:14]2=[O:19])([F:20])[F:21].[OH2:26].[OH2:30]>>[Cl:1][c:11]1[cH:10][c:9]([O:8][C:7]([F:6])([F:20])[F:21])[c:18]2[c:13]([cH:12]1)[C:14](=[O:19])[CH2:15][CH2:16][O:17]2Participants
7
Sources & evidence
- ORD record
- ord-e4543da91c744dad806a1329f72442d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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