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

HRID 284352Notes

Reaction equation

HRID 284352 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].[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[nH:23]1[cH:24][n:25][cH:26][cH:27]1>>[c:2]1(-[n:23]2[cH:24][n:25][cH:26][cH:27]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 795ImidazoleHCID 813Potassium Cation3×HCID 1061PhosphateHCID 8070N,N'-DimethylethylenediamineHCID 312751,4-DioxaneHCID 83717Copper iodideHCID 231568037-iodo-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Product 1

HCID 231567797-imidazol-1-yl-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-4f7482c01b6547a3906759f209708640
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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