Thionyl Chloride → Bicalutamide sulfide

HRID 182771

Reaction equation

HRID 182771 reaction equation
[F:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][C:10]([C:11](=[O:12])[OH:13])([CH3:14])[OH:15])[cH:6][cH:7]1.[NH2:16][c:17]1[cH:18][c:19]([C:25]([F:26])([F:27])[F:28])[c:20]([C:21]#[N:22])[cH:23][cH:24]1.[S:29]([Cl:30])([Cl:31])=[O:32]>>[F:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:9][C:10]([C:11](=[O:13])[NH:16][c:17]2[cH:18][c:19]([C:25]([F:26])([F:27])[F:28])[c:20]([C:21]#[N:22])[cH:23][cH:24]2)([CH3:14])[OH:15])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 24386Thionyl ChlorideHCID 5221704-Amino-2-(trifluoromethyl)benzonitrileHCID 98133673-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid

Product 1

HCID 9800987Bicalutamide sulfide

Sources & evidence

ORD record
ord-8998ac67571c4efab30de34e497d26a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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