Ammonium → 7-(2-oxoazetidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 303849Notes

Reaction equation

HRID 303849 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:36][NH:37][CH2:38][CH2:39][NH:40][CH3:41].[Cl-:42].[Cu:50]([I:51])[I:52].[I:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1.[K+:33].[K+:34].[K+:35].[NH4+:43].[NH:23]1[C:24](=[O:27])[CH2:25][CH2:26]1.[P:28]([O-:29])([O-:30])([O-:31])=[O:32]>>[c:2]1([N:23]2[C:24](=[O:27])[CH2:25][CH2:26]2)[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation3×HCID 1061PhosphateHCID 8070N,N'-DimethylethylenediamineHCID 312751,4-DioxaneHCID 83717Copper iodideHCID 1367212-AzetidinoneHCID 231568037-iodo-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Product 1

HCID 118534187-(2-oxoazetidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-685d136cf50d423887cf49b78d37e017
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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