Acetate → 4-(3,5-Bis-trifluoromethyl-benzyl)-2-methylaniline
Reaction equation
[CH3:27][C:28](=[O:29])[O-:30].[CH3:31][C:32](=[O:33])[CH3:34].[Cl-:35].[Cl-:36].[Cl-:37].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][c:7]2[cH:8][c:9]([CH3:16])[c:10]([N+:13]([O-:14])=[O:15])[cH:11][cH:12]2)[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)([F:24])[F:25].[NH4+:26].[OH2:39].[Ti+3:38]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][c:7]2[cH:8][c:9]([CH3:16])[c:10]([NH2:13])[cH:11][cH:12]2)[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)([F:24])[F:25]Participants
8
Sources & evidence
- ORD record
- ord-8edbc6ececbd4932a9d6ae29ede86761
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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