Potassium Cation → 2-{5-[(Cyclopropylamino)carbonyl]-2-methylphenyl}-1-oxo-1,2-dihydroisoquinolin-7-yl trifluoromethanesulfonate

HRID 680529Notes

Reaction equation

HRID 680529 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:24])[c:15]4[cH:16][c:17]([OH:23])[cH:18][cH:19][c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:25])[CH2:2][CH2:3]1.[K+:44].[K+:45].[c:26]1([NH:27][S:33](=[O:34])(=[O:35])[C:36]([F:37])([F:38])[F:39])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:24])[c:15]4[cH:16][c:17]([O:23][S:33](=[O:34])(=[O:35])[C:36]([F:37])([F:38])[F:39])[cH:18][cH:19][c:20]4[cH:21][cH:22]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:25])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 680121,1,1-Trifluoro-N-phenylmethanesulfonamideHCID 11515516N-Cyclopropyl-3-(7-hydroxy-1-oxoisoquinolin-2(1H)-yl)-4-methylbenzamide

Product 1

HCID 866208532-{5-[(Cyclopropylamino)carbonyl]-2-methylphenyl}-1-oxo-1,2-dihydroisoquinolin-7-yl trifluoromethanesulfonate

Sources & evidence

ORD record
ord-d5207fa14a15465bb5aef037adc8f5d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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