1-Butanol → 3-Butoxybenzonitrile

Reaction equation

[C:16](=[O:17])([O-:18])[O-:19].[CH2:31]([CH2:32][CH2:33][CH3:34])[OH:35].[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7][cH:8][cH:9]2)[c:10]2[c:11]1[cH:12][cH:13][cH:14][n:15]2.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cs+:20].[Cs+:21].[Cu:36][I:37].[I:22][c:23]1[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30]1>>[c:23]1([O:35][CH2:31][CH2:32][CH2:33][CH3:34])[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][cH:30]1

Participants

Reactant 7

HCID 2631-Butanol

HCID 1140Toluene

HCID 19660Carbonate Ion

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

HCID 727915-Methyl-1,10-phenanthroline

HCID 104967Cesium cation2×

HCID 1443413-Iodobenzonitrile

Product 1

Sources & evidence

ORD record: ord-862547c4ee5c41fca2a34242e474598a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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