Water → 4-Ethyl-2-isopropoxy-benzonitrile

HRID 306977

Reaction equation

HRID 306977 reaction equation
[C-:20]#[N:21].[C-:23]#[N:24].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([I:9])[cH:7][cH:8]1.[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[OH2:14].[Zn+2:22]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([C:15]#[N:16])[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 962WaterHCID 5975Cyanide2×HCID 6228DimethylformamideHCID 32051Zinc(2+)HCID 229962054-Ethyl-1-iodo-2-isopropoxy-benzene

Product 1

HCID 229961874-Ethyl-2-isopropoxy-benzonitrile

Sources & evidence

ORD record
ord-fce5521178a34bc7874c3d3126e88ae4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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