Chloride → 5-[5-(4-Cyanophenoxy)pentyl]-3-methylisoxazole

HRID 159351

Reaction equation

HRID 159351 reaction equation
[Br:13][CH2:14][CH2:15][CH2:16][CH2:17][O:18][c:19]1[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:7])[cH:6]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl-:28].[ClH:29].[Na+:27].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH2:7][CH2:14][CH2:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[cH:6]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 93123,5-DimethylisoxazoleHCID 134508854-(4-Bromobutoxy)benzonitrileHCID 178418339Butyllithium

Product 1

HCID 52712115-[5-(4-Cyanophenoxy)pentyl]-3-methylisoxazole

Sources & evidence

ORD record
ord-edec203c8cc54453ac3b22158a318f75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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