Sodium ion → 2-(4-Fluorophenyl)acetyl isothiocyanate

HRID 2126781Notes

Reaction equation

HRID 2126781 reaction equation
[CH3:16][CH2:17][O:18][C:19](=[O:20])[CH3:21].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[Cl:11])[cH:6][cH:7]1.[Na+:12].[S-:13][C:14]#[N:15]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[N:15]=[C:14]=[S:13])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 8857Ethyl AcetateHCID 9322ThiocyanateHCID 37449884-Fluorophenylacetyl chloride

Product 1

HCID 231532482-(4-Fluorophenyl)acetyl isothiocyanate

Sources & evidence

ORD record
ord-573d59d819ea4de4981807cb0f0c4ba9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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