Titanium cation (4+) → 5-[[4-(3,4-difluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino]-2H-phthalazin-1-one
Reaction equation
[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:50][C:51]([CH3:52])([O-:53])[CH3:54].[F:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:9]([CH2:10][C:11]([CH:12]=[O:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[CH2:19][CH3:20])[cH:5][cH:6][c:7]1[F:8].[NH2:23][c:24]1[c:25]2[cH:26][n:27][nH:28][c:29](=[O:34])[c:30]2[cH:31][cH:32][cH:33]1.[Ti+4:55]>>[F:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:9]([CH2:10][C:11]([CH:12]=[N:23][c:24]2[c:25]3[cH:26][n:27][nH:28][c:29](=[O:34])[c:30]3[cH:31][cH:32][cH:33]2)([C:14]([F:15])([F:16])[F:17])[OH:18])[CH2:19][CH3:20])[cH:5][cH:6][c:7]1[F:8]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-33cf5098a3fa4fb399a173d5e0d3ab19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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