Hydrochloric Acid → n-Butyl 3-{4-[1-(4-chlorobenzyl)-piperazin-4-yl]-phenyl}-propionate

HRID 663032Notes

Reaction equation

HRID 663032 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:38][C:39]#[N:40].[Cl:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][Cl:34])[cH:35][cH:36]1.[ClH:37].[K+:26].[K+:27].[N:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([CH2:33][c:32]2[cH:31][cH:30][c:29]([Cl:28])[cH:36][cH:35]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 77231-Chloro-4-(chloromethyl)benzeneHCID 19660Carbonate IonHCID 20232520n-Butyl 3-[4-(piperazin-1-yl)-phenyl]-propionate

Product 1

HCID 20232442n-Butyl 3-{4-[1-(4-chlorobenzyl)-piperazin-4-yl]-phenyl}-propionate

Sources & evidence

ORD record
ord-77592181afd143118333428893546c05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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