Water → Methyl 8-(2-methoxy-5-methylphenyl)-8-oxo-octanoate

HRID 173065

Reaction equation

HRID 173065 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Cl+3:10]([O-:11])([O-:12])([O-:13])[O-:14].[Cl:16][C:17](=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28].[Li+:15].[N+:30]([CH3:31])([O-:32])=[O:33].[OH2:29].[S:34]([O-:35])([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41].[S:43]([O-:44])([C:45]([F:46])([F:47])[F:48])(=[O:49])=[O:50].[S:51]([O-:52])([C:53]([F:54])([F:55])[F:56])(=[O:57])=[O:58].[Sc+3:42]>>[CH3:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6375NitromethaneHCID 77314-MethylanisoleHCID 28486Lithium ionHCID 123351PerchlorateHCID 2758875Trifluoromethanesulfonate3×HCID 4534583Scandium, ion (Sc3+)HCID 4586585Methyl 8-chloro-8-oxooctanoate

Product 1

HCID 23078435Methyl 8-(2-methoxy-5-methylphenyl)-8-oxo-octanoate

Sources & evidence

ORD record
ord-04ebffbed8294d2d83a825c30df25ed8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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