Potassium Cation → 5-(5-Isoquinolylsulfanyl)-2-nitrobenzonitrile

HRID 284414

Reaction equation

HRID 284414 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[Cl:18][c:19]1[cH:20][cH:21][c:22]([N+:27](=[O:28])[O-:29])[c:23]([C:24]#[N:25])[cH:26]1.[K+:16].[K+:17].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([SH:11])[cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([S:11][c:19]3[cH:20][cH:21][c:22]([N+:27](=[O:28])[O-:29])[c:23]([C:24]#[N:25])[cH:26]3)[cH:7][cH:8][cH:9][c:10]12

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1005065-Chloro-2-nitrobenzonitrileHCID 110519635-Isoquinolinethiol

Product 1

HCID 218469615-(5-Isoquinolylsulfanyl)-2-nitrobenzonitrile

Sources & evidence

ORD record
ord-4faace21ca6c42e4b9f14329b8825603
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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