Acetate → Ethanone, 1-[3-(trifluoromethyl)phenyl]-, oxime

HRID 1217991Notes

Reaction equation

HRID 1217991 reaction equation
[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH3:22][C:23](=[O:24])[O-:25].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH:26]([CH3:27])=[N:28][OH:29].[Cu+2:43].[F:6][C:7]([c:8]1[cH:9][c:10]([NH2:11])[cH:12][cH:13][cH:14]1)([F:15])[F:16].[N:17]([O-:18])=[O:19].[N:36]#[N:37].[Na+:20].[Na+:21].[Na+:34].[Na+:35].[OH2:38].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5].[S:30]([O-:31])([O-:32])=[O:33]>>[F:6][C:7]([c:8]1[cH:9][c:10]([C:26]([CH3:27])=[N:28][OH:29])[cH:12][cH:13][cH:14]1)([F:15])[F:16]

Participants

12

Reactant 11

HCID 175Acetate3×HCID 923Sodium ion4×HCID 946NitriteHCID 947NitrogenHCID 962WaterHCID 1099SulfiteHCID 1118Sulfuric AcidHCID 1140TolueneHCID 73753-(Trifluoromethyl)anilineHCID 7863AldoximeHCID 27099Cupric cation

Product 1

HCID 280810Ethanone, 1-[3-(trifluoromethyl)phenyl]-, oxime

Sources & evidence

ORD record
ord-35c9db349ae44106896a9775943df7a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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