Acetonitrile → (3-Bromo-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester

HRID 1228904Notes

Reaction equation

HRID 1228904 reaction equation
[Br:1][c:2]1[cH:3][c:4]([OH:13])[c:5]2[c:10]([cH:11]1)[C:9](=[O:12])[CH2:8][CH2:7][CH2:6]2.[Br:20][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[C:14](=[O:15])([O-:16])[O-:17].[CH3:29][C:30]#[N:31].[Cs+:18].[Cs+:19]>>[Br:1][c:2]1[cH:3][c:4]([O:13][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:5]2[c:10]([cH:11]1)[C:9](=[O:12])[CH2:8][CH2:7][CH2:6]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 79177tert-Butyl bromoacetateHCID 104967Cesium cation2×HCID 591925237-bromo-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Product 1

HCID 59192521(3-Bromo-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester

Sources & evidence

ORD record
ord-e2340c6df76a487f8913c8b6aa06362f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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