N,N-Dimethylglycine → 3,5-Dimethoxy-2-(5-methyl-3-methoxy-phenoxy)-4-methyl-benzoic acid methyl ester

HRID 2134728Notes

Reaction equation

HRID 2134728 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:17][O:18][c:19]1[cH:20][c:21]([OH:26])[cH:22][c:23]([CH3:25])[cH:24]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([Br:15])[c:6]([O:13][CH3:14])[c:7]([CH3:12])[c:8]([O:10][CH3:11])[cH:9]1)=[O:16].[CH3:33][N:34]([CH2:35][C:36](=[O:37])[OH:38])[CH3:39].[Cs+:31].[Cs+:32].[Cu:40][I:41].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:42]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([O:26][c:21]2[cH:20][c:19]([O:18][CH3:17])[cH:24][c:23]([CH3:25])[cH:22]2)[c:6]([O:13][CH3:14])[c:7]([CH3:12])[c:8]([O:10][CH3:11])[cH:9]1)=[O:16]

Participants

9

Reactant 8

HCID 673N,N-DimethylglycineHCID 962WaterHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 766743-Methoxy-5-MethylphenolHCID 104967Cesium cation2×HCID 594024012-Bromo-3,5-dimethoxy-4-methyl-benzoic acid methyl ester

Product 1

HCID 594024043,5-Dimethoxy-2-(5-methyl-3-methoxy-phenoxy)-4-methyl-benzoic acid methyl ester

Sources & evidence

ORD record
ord-380da22d4328481e8226fbdc67861a5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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