Potassium Cation → N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

HRID 1124022Notes

Reaction equation

HRID 1124022 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:17]=[O:18])[cH:6][n:7]([CH2:13][CH:14]3[CH2:15][CH2:16]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:19]1([NH:22][C:23]([c:24]2[cH:25][c:26]([F:40])[c:27]([CH3:39])[c:28]([B:30]3[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]3)[cH:29]2)=[O:41])[CH2:20][CH2:21]1.[K+:46].[K+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[c:2]1(-[c:28]2[c:27]([CH3:39])[c:26]([F:40])[cH:25][c:24]([C:23]([NH:22][CH:19]3[CH2:20][CH2:21]3)=[O:41])[cH:29]2)[cH:3][c:4]2[c:5]([CH:17]=[O:18])[cH:6][n:7]([CH2:13][CH:14]3[CH2:15][CH2:16]3)[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 57551776HCID 57551776, compound

Product 1

HCID 57551841N-Cyclopropyl-3-(2-(cyclopropylmethyl)-4-formyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-5-fluoro-4-methylbenzamide

Sources & evidence

ORD record
ord-f3371a41e225425688287f6f76c575ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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