Hydrochloric Acid → Hydrochloric Acid

HRID 1214463Notes

Reaction equation

HRID 1214463 reaction equation
[CH2:18]([C:19]#[CH:20])[Cl:21].[CH3:28][C:29]#[N:30].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:7][cH:8][cH:9]1)([F:16])[F:17].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27]>>[ClH:21].[F:2][C:3]([c:4]1[cH:5][c:6]([N:10]2[CH2:11][CH2:12][N:13]([CH2:20][C:19]#[CH:18])[CH2:14][CH2:15]2)[cH:7][cH:8][cH:9]1)([F:16])[F:17]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 42961-(3-(Trifluoromethyl)phenyl)piperazineHCID 6342AcetonitrileHCID 122213-Chloro-1-propyneHCID 19660Carbonate Ion

Product 2

HCID 313Hydrochloric AcidHCID 14781871-(2-propynyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Sources & evidence

ORD record
ord-19e3a5cd25a5420c9e719b100e302843
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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