Ethyl 4-(piperazin-1-yl)benzoate → 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-YL]methyl]-1-piperazinyl]benzoic acid ethyl ester

HRID 2315216Notes

Reaction equation

HRID 2315216 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([CH:16]=[O:17])[CH2:10][C:11]([CH3:14])([CH3:15])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[N:18]1([c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:33][cH:34]2)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([CH2:16][N:21]3[CH2:20][CH2:19][N:18]([c:24]4[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:33][cH:34]4)[CH2:23][CH2:22]3)[CH2:10][C:11]([CH3:14])([CH3:15])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 2761178Ethyl 4-(piperazin-1-yl)benzoateHCID 445943302-(4-chlorophenyl)-5,5-dimethyl-1-Cyclohexene-1-carboxaldehyde

Product 1

HCID 251404834-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-YL]methyl]-1-piperazinyl]benzoic acid ethyl ester

Sources & evidence

ORD record
ord-e1094d55f9444ec3ad003432f3a8f510
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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