Potassium Cation → Methyl 2-[4-benzylpiperazinyl]benzoate

HRID 301371Notes

Reaction equation

HRID 301371 reaction equation
[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][cH:11]1.[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:42]>>[c:2]1([N:22]2[CH2:21][CH2:20][N:19]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:24][CH2:23]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 67854Benzoic acid, 2-fluoro-, methyl esterHCID 759941-Benzylpiperazine

Product 1

HCID 21935101Methyl 2-[4-benzylpiperazinyl]benzoate

Sources & evidence

ORD record
ord-fa8591642a954c159af40eb3818b5ee9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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