Ethanol → {3-Chloro-4-[4-[(difluoromethyl)oxy]-9-(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetic acid
Reaction equation
[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[cH:3][c:4]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][c:10]2[c:11]([O:25][CH:26]([F:27])[F:28])[c:12]3[c:13]([c:14]([O:18][CH2:19][CH3:20])[c:15]2[C:16]1=[O:17])[cH:21][cH:22][cH:23][cH:24]3.[Na+:36].[OH-:35]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:29][C:30](=[O:31])[OH:32])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][c:10]2[c:11]([O:25][CH:26]([F:27])[F:28])[c:12]3[c:13]([c:14]([O:18][CH2:19][CH3:20])[c:15]2[C:16]1=[O:17])[cH:21][cH:22][cH:23][cH:24]3Participants
5
Sources & evidence
- ORD record
- ord-16bcda1647254235af962fa7340acfcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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