Dimethylformamide → Methyl 2-isobutyl-5-[4-(methylsulfonyl)phenoxy]-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

HRID 691971Notes

Reaction equation

HRID 691971 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1.[Cs+:36].[Cs+:37].[Cu:43][I:44].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([C:12](=[O:13])[O:14][CH3:15])[cH:11]1)[C:7](=[O:16])[N:6]([CH2:17][CH:18]([CH3:19])[CH3:20])[CH2:5][CH2:4]2>>[O:1]([c:2]1[c:3]2[c:8]([cH:9][c:10]([C:12](=[O:13])[O:14][CH3:15])[cH:11]1)[C:7](=[O:16])[N:6]([CH2:17][CH:18]([CH3:19])[CH3:20])[CH2:5][CH2:4]2)[c:28]1[cH:27][cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:30][cH:29]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 679941-Fluoro-4-(methylsulphonyl)benzeneHCID 104967Cesium cation2×HCID 59560203Methyl 5-hydroxy-2-isobutyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

Product 1

HCID 59559916Methyl 2-isobutyl-5-[4-(methylsulfonyl)phenoxy]-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

Sources & evidence

ORD record
ord-0b0b051565274bedb2cb7705d9373c53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…