Acetonitrile → [2-(1-Hydroxy-2-methyl-propyl)-5-methoxy-4-methyl-phenoxy]-acetic acid ethyl ester

HRID 2156284Notes

Reaction equation

HRID 2156284 reaction equation
[Br:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28].[C:16](=[O:17])([O-:18])[O-:19].[CH3:29][C:30]#[N:31].[Cs+:20].[Cs+:21].[OH:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[c:7]([OH:15])[cH:8][c:9]([O:13][CH3:14])[c:10]([CH3:12])[cH:11]1>>[OH:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[c:7]([O:15][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:8][c:9]([O:13][CH3:14])[c:10]([CH3:12])[cH:11]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 7748Ethyl bromoacetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 687253722-(1-Hydroxy-2-methyl-propyl)-5-methoxy-4-methyl-phenol

Product 1

HCID 68878744[2-(1-Hydroxy-2-methyl-propyl)-5-methoxy-4-methyl-phenoxy]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-5c16a2407368461aac8f5f767d8da677
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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