Trifluoromethane → N-(4-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-trifluoromethanesulfonamide

HRID 315752

Reaction equation

HRID 315752 reaction equation
[F:34][CH:35]([F:36])[F:37].[NH2:1][c:2]1[c:3]([CH3:28])[cH:4][c:5]([C:8]([CH2:9][CH3:10])([CH2:11][CH3:12])[c:13]2[cH:14][c:15]([CH3:27])[c:16]([O:17][CH2:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:25][cH:26]2)[cH:6][cH:7]1.[S:29](=[O:30])(=[O:31])([Cl:32])[Cl:33]>>[NH:1]([c:2]1[c:3]([CH3:28])[cH:4][c:5]([C:8]([CH2:9][CH3:10])([CH2:11][CH3:12])[c:13]2[cH:14][c:15]([CH3:27])[c:16]([O:17][CH2:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:25][cH:26]2)[cH:6][cH:7]1)[S:29](=[O:30])(=[O:31])[C:35]([F:34])([F:36])[F:37]

Participants

4

Reactant 3

HCID 6373TrifluoromethaneHCID 24648Sulfuryl chlorideHCID 684529431-{4-[1-(4-Amino-3-methyl-phenyl)-1-ethyl-propyl]-2-methyl-phenoxy}-3,3-dimethyl-butan-2-one

Product 1

HCID 11432273N-(4-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-trifluoromethanesulfonamide

Sources & evidence

ORD record
ord-405987992a974afa90504114548ced42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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