1-Butanol → n-Butyl 3-{4-[1-(4-chlorophenyl)-piperazin-4-yl]-phenyl}-propionate

HRID 2160081Notes

Reaction equation

HRID 2160081 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[Cl:17][CH2:18][CH2:19][N:20]([c:21]1[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]1)[CH2:28][CH2:29][Cl:30].[ClH:37].[K+:35].[K+:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:6][cH:7]1>>[N:1]1([c:2]2[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:6][cH:7]2)[CH2:18][CH2:19][N:20]([c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[CH2:28][CH2:29]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 95112Aniline, p-chloro-N,N-bis(2-chloroethyl)- (8CI)HCID 20232483n-Butyl 3-(4-aminophenyl)-propionate

Product 1

HCID 20232689n-Butyl 3-{4-[1-(4-chlorophenyl)-piperazin-4-yl]-phenyl}-propionate

Sources & evidence

ORD record
ord-4de3f9c18a334c1283d37f814ca86e89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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