Dimethylformamide → 2-Benzylsulfanyl-1-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-ethanone

Reaction equation

[Br:1][CH2:2][C:3](=[O:4])[c:5]1[c:6]([CH3:17])[n:7][o:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]1.[C:26](=[O:27])([O-:28])[O-:29].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[SH:25].[Cs+:30].[Cs+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[CH2:2]([C:3](=[O:4])[c:5]1[c:6]([CH3:17])[n:7][o:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]1)[S:25][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1

Participants

Reactant 5

HCID 6228Dimethylformamide

HCID 7509Benzyl mercaptan

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 866524062-Bromo-1-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]ethanone

Product 1

HCID 665773632-Benzylsulfanyl-1-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-ethanone

Sources & evidence

ORD record: ord-c18386920fa54c06a556b4516769a19e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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