Bicarbonate Ion → 1-Fluoro-2-methoxy-5-methyl-3-nitrobenzene

HRID 691569

Reaction equation

HRID 691569 reaction equation
[Br:16][c:17]1[cH:18][c:19]([F:28])[c:20]([O:26][CH3:27])[c:21]([N+:23](=[O:24])[O-:25])[cH:22]1.[C:1](=[O:2])([O-:3])[O-:4].[C:30](=[O:31])([OH:32])[O-:33].[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[CH3:7][B:8]1[O:9][B:10]([CH3:11])[O:12][B:13]([CH3:14])[O:15]1.[K+:5].[K+:6].[Na+:34].[OH2:29]>>[CH3:1][c:17]1[cH:18][c:19]([F:28])[c:20]([O:26][CH3:27])[c:21]([N+:23](=[O:24])[O-:25])[cH:22]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 5571594-Bromo-2-fluoro-6-nitroanisoleHCID 574072Trimethylboroxine

Product 1

HCID 575758761-Fluoro-2-methoxy-5-methyl-3-nitrobenzene

Sources & evidence

ORD record
ord-ff558cee504b4d72808992f745bb42b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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