Ethylene Glycol → Benzonitrile, 3-(phenylthio)-

Reaction equation

[CH3:29][CH:30]([OH:31])[CH3:32].[Cu:27][I:28].[I:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1.[K+:17].[K+:18].[O-:19][C:20]([O-:21])=[O:22].[OH:23][CH2:24][CH2:25][OH:26].[SH:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[c:2]1([S:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1

Participants

Reactant 7

HCID 174Ethylene Glycol

HCID 813Potassium Cation2×

HCID 3776Isopropanol

HCID 7969Thiophenol

HCID 19660Carbonate Ion

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 1443413-Iodobenzonitrile

Product 1

HCID 11298792Benzonitrile, 3-(phenylthio)-

Sources & evidence

ORD record: ord-1fd61a185c0848c7a47ce470b92fb874
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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