Acetone → 1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol

HRID 697763

Reaction equation

HRID 697763 reaction equation
[CH3:45][C:46](=[O:47])[CH3:48].[F:1][C:2]([C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[c:8]1[c:9]([O:15][CH3:16])[cH:10][cH:11][c:12]([F:14])[cH:13]1)([OH:17])[CH2:18][S:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]1)([F:28])[F:29].[F:32][C:33]([F:34])([F:35])[C:36]([O:37][C:38](=[O:39])[C:40]([F:41])([F:42])[F:43])=[O:44].[I-:31].[Na+:30]>>[F:1][C:2]([C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[c:8]1[c:9]([O:15][CH3:16])[cH:10][cH:11][c:12]([F:14])[cH:13]1)([OH:17])[CH2:18][S:19][c:21]1[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]1)([F:28])[F:29]

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 9845Trifluoroacetic anhydrideHCID 30165Iodide IonHCID 698066201,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfinylmethyl]pentan-2-ol

Product 1

HCID 694158091,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pentan-2-ol

Sources & evidence

ORD record
ord-7ecc05ec13fe4b0a98084ca712f8ce72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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