Titanium cation (4+) → 5-{[4-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}-2-methylphthalazin-1-one
Reaction equation
[CH3:35][CH2:36][O-:37].[CH3:38][CH2:39][O-:40].[CH3:41][CH2:42][O-:43].[CH3:44][CH2:45][O-:46].[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:5][cH:6][cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][n:26][n:27]([CH3:34])[c:28](=[O:33])[c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:47]>>[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[N:22][c:23]2[c:24]3[cH:25][n:26][n:27]([CH3:34])[c:28](=[O:33])[c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:5][cH:6][cH:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-be1ae5a92cfb45fca45f3aa9b69d38ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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