Ethyl Acetate → 7-(2,4-difluorophenoxy)-1-(2,6-difluorophenyl)-2H-quinolizin-2-one

HRID 168885Notes

Reaction equation

HRID 168885 reaction equation
[Br:1][c:2]1[cH:3][n:4]2[cH:5][cH:6][c:7](=[O:20])[c:8](-[c:12]3[c:13]([F:19])[cH:14][cH:15][cH:16][c:17]3[F:18])[c:9]2[cH:10][cH:11]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:30][C:31]([CH3:32])([C:33](=[O:34])[CH2:35][C:36](=[O:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[CH3:42].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cs+:47].[Cs+:48].[Cu:62][Cl:63].[F:21][c:22]1[c:23]([OH:29])[cH:24][cH:25][c:26]([F:28])[cH:27]1>>[c:2]1([O:29][c:23]2[c:22]([F:21])[cH:27][c:26]([F:28])[cH:25][cH:24]2)[cH:3][n:4]2[cH:5][cH:6][c:7](=[O:20])[c:8](-[c:12]3[c:13]([F:19])[cH:14][cH:15][cH:16][c:17]3[F:18])[c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 707002,2,6,6-Tetramethyl-3,5-heptanedioneHCID 104967Cesium cation2×HCID 1230512,4-DifluorophenolHCID 575312307-bromo-1-(2,6-difluorophenyl)-2H-quinolizin-2-one

Product 1

HCID 167496317-(2,4-difluorophenoxy)-1-(2,6-difluorophenyl)-2H-quinolizin-2-one

Sources & evidence

ORD record
ord-4f68ac12339747b3b20652b00e09228c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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