Sodium ion → 2-(3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl)-4-(trifluoromethyl)benzoic acid
Reaction equation
[CH3:1][C:2]([CH3:3])([CH3:35])[CH2:36][O:4][C:5]([c:6]1[c:7](-[c:16]2[cH:17][cH:18][c:19]3[c:24]([cH:25]2)[O:23][CH2:22][CH:21]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH:20]3[OH:33])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)=[O:34].[CH:40]([OH:41])([CH3:42])[CH3:43].[Na+:38].[OH-:37].[OH2:39]>>[O:4]=[C:5]([c:6]1[c:7](-[c:16]2[cH:17][cH:18][c:19]3[c:24]([cH:25]2)[O:23][CH2:22][CH:21]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH:20]3[OH:33])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)[OH:34]Participants
6
Sources & evidence
- ORD record
- ord-1ade7e5dacd84679bb067b85df503fd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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