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

HRID 1550279Notes

Reaction equation

HRID 1550279 reaction equation
[CH3:27][C:28]#[N:29].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1.[K+:13].[K+:14].[O-:15][C:16]([O-:17])=[O:18].[c:19]1([CH2:25][SH:26])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[c:2]1([S:26][CH2:25][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 7509Benzyl mercaptanHCID 19660Carbonate IonHCID 855042-Chloro-5-nitrobenzonitrile

Product 1

HCID 7067652-(benzylthio)-5-nitrobenzonitrile

Sources & evidence

ORD record
ord-6391ce1ad2e34c318ea345ace57e8c00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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