Acetic Acid → 4-(5-Fluoro-2-methoxyphenyl)-4-methyl-1-(isoquinolin-5-ylimino)-2-(trifluoromethyl)-pentan-2-ol
Reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][n:27][cH:28][c:29]2[cH:30][cH:31][cH:32]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[N:22][c:23]2[c:24]3[cH:25][cH:26][n:27][cH:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-9c5ff0f86c7d4c4f929234ab7a62442a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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