Chloride → (5-Chloro-2-hydroxy-4-methoxy-phenyl)-(4-fluoro-phenyl)-methanone

HRID 1227899Notes

Reaction equation

HRID 1227899 reaction equation
[Al+3:24].[CH3:27][C:28]#[N:29].[Cl-:23].[Cl-:25].[Cl-:26].[Cl:1][c:2]1[c:3]([O:19][CH3:20])[cH:4][c:5]([O:17][CH3:18])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[cH:7]1.[I-:22].[Na+:21]>>[Cl:1][c:2]1[c:3]([O:19][CH3:20])[cH:4][c:5]([OH:17])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[cH:7]1

Participants

7

Reactant 6

HCID 312Chloride3×HCID 923Sodium ionHCID 6342AcetonitrileHCID 30165Iodide IonHCID 104727Aluminum CationHCID 68725924(5-Chloro-2,4-Dimethoxy-phenyl)-(4-fluoro-phenyl)-methanone

Product 1

HCID 68725962(5-Chloro-2-hydroxy-4-methoxy-phenyl)-(4-fluoro-phenyl)-methanone

Sources & evidence

ORD record
ord-3f8924c13aae47c6b761eab83dee21d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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