Chloride → 5-{[6-Fluoro-2-hydroxy-4,4-dimethyl-5-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-2-methylphthalazin-1-one
Reaction equation
[Cl-:35].[Cl-:36].[Cl-:37].[Cl-:38].[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([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: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+4:39]>>[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]2[c:5]([cH:6][cH:7]1)[CH:11]([NH:22][c:23]1[c:24]3[cH:25][n:26][n:27]([CH3:34])[c:28](=[O:33])[c:29]3[cH:30][cH:31][cH:32]1)[C:10]([C:13]([F:14])([F:15])[F:16])([OH:17])[CH2:9][C:8]2([CH3:18])[CH3:19]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-93cd5753c6ba4ace995c31a483c3ae33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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