1-Butanol → Hydrochloric Acid

HRID 674747Notes

Reaction equation

HRID 674747 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[C:16](=[O:17])([O-:18])[O-:19].[CH2:10]1[CH2:11][NH:12][CH2:13][CH2:14][NH:15]1.[CH2:22]([OH:23])[CH2:24][CH2:25][CH3:26].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[ClH:27].[K+:20].[K+:21]>>[ClH:27].[c:2]1([N:12]2[CH2:11][CH2:10][NH:15][CH2:14][CH2:13]2)[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

9

Reactant 7

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 4837PiperazineHCID 8857Ethyl AcetateHCID 12162Benzonitrile, 4-bromo-HCID 19660Carbonate Ion

Product 2

HCID 313Hydrochloric AcidHCID 27339954-(Piperazin-1-yl)benzonitrile

Sources & evidence

ORD record
ord-bccfacf2a23948a4a10e827ff3d2e6fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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