Dimethylformamide → 4-(3-Chloro-4-methanesulfonyl-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid methyl ester

HRID 699159Notes

Reaction equation

HRID 699159 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:13][O:14][C:15](=[O:16])[c:17]1[cH:18][c:19]2[c:20]([c:26]([OH:28])[cH:27]1)[CH2:21][C:22]([CH3:24])([CH3:25])[O:23]2.[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Cs+:33].[Cs+:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH3:12])[cH:4][cH:5][c:6]([O:28][c:26]2[c:20]3[c:19]([cH:18][c:17]([C:15]([O:14][CH3:13])=[O:16])[cH:27]2)[O:23][C:22]([CH3:24])([CH3:25])[CH2:21]3)[cH:7]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 25067323Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylateHCID 591699402-Chloro-4-fluoro-1-(methylsulfonyl)benzene

Product 1

HCID 595604364-(3-Chloro-4-methanesulfonyl-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-d40fc2c7fc864f9b812cd661afce2f14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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