Potassium Cation → 1-Chloro-7-(trifluoromethyl)isoquinoline

HRID 1571317Notes

Reaction equation

HRID 1571317 reaction equation
[CH3:23][N:24]1[CH2:25][CH2:26][CH2:27][C:28]1=[O:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:3][Si:4]([C:5]([F:6])([F:7])[F:8])([CH3:9])[CH3:10].[Cl:11][c:12]1[n:13][cH:14][cH:15][c:16]2[cH:17][cH:18][c:19]([I:22])[cH:20][c:21]12.[Cu:36][I:37].[F-:1].[K+:2]>>[C:5]([F:6])([F:7])([F:8])[c:19]1[cH:18][cH:17][c:16]2[cH:15][cH:14][n:13][c:12]([Cl:11])[c:21]2[cH:20]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 552549(Trifluoromethyl)trimethylsilaneHCID 441563091-Chloro-7-iodoisoquinoline

Product 1

HCID 585626771-Chloro-7-(trifluoromethyl)isoquinoline

Sources & evidence

ORD record
ord-ec5bd4cc53b14a4e9a89710c9dfc84a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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