Acetonitrile → 4-hydroxy-3-(phenylsulfanyl)-2H-chromen-2-one

HRID 293282

Reaction equation

HRID 293282 reaction equation
[Br:12][c:13]1[c:14](=[O:24])[o:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[c:22]1[OH:23].[CH3:1][N:2]([CH3:3])[P:4](=[O:5])([N:6]([CH3:7])[CH3:8])[N:9]([CH3:10])[CH3:11].[CH3:36][C:37]#[N:38].[c:25]1([S:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:13]1([S:31][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:14](=[O:24])[o:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[c:22]1[OH:23]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 12679HexamethylphosphoramideHCID 78312PhenylthiotrimethylsilaneHCID 546821243-bromo-4-hydroxy-2H-chromen-2-one

Product 1

HCID 546846444-hydroxy-3-(phenylsulfanyl)-2H-chromen-2-one

Sources & evidence

ORD record
ord-ef2d17e7417048c1bac148fccfce7bba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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