Potassium Cation → (4-Cyclohexyl-phenyl)-(3-piperazin-1-yl-azetidin-1-yl)-methanone

HRID 192615Notes

Reaction equation

HRID 192615 reaction equation
[CH3:37][OH:38].[CH:1]1([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][CH:15]([N:17]4[CH2:18][CH2:19][N:20]([C:23](=[O:24])[C:25]([F:26])([F:27])[F:28])[CH2:21][CH2:22]4)[CH2:16]3)[cH:29][cH:30]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[OH2:39]>>[CH:1]1([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[N:13]3[CH2:14][CH:15]([N:17]4[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]4)[CH2:16]3)[cH:29][cH:30]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 596260481-{4-[1-(4-Cyclohexyl-benzoyl)-azetidin-3-yl]-piperazin-1-yl}-2,2,2-trifluoro-ethanone

Product 1

HCID 59626057(4-Cyclohexyl-phenyl)-(3-piperazin-1-yl-azetidin-1-yl)-methanone

Sources & evidence

ORD record
ord-8633ffcda5c14207aba9cbff85644599
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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