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

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

Reactant 6

HCID 312Chloride3×

HCID 923Sodium Ion

HCID 6342Acetonitrile

HCID 30165Iodide Ion

HCID 104727Aluminum Cation

HCID 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)
DOI: 10.1039/C8SC04228D

Reaction notes

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