Potassium Cation → 1-Cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohex-1-enyl)phenyl]piperazine

HRID 671209Notes

Reaction equation

HRID 671209 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH:1]1([CH2:4][N:5]2[CH2:6][CH2:7][N:8]([c:11]3[c:12]([C:17]4([OH:27])[CH2:18][C:19]([CH3:25])([CH3:26])[CH2:20][C:21]([CH3:23])([CH3:24])[CH2:22]4)[cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1.[K+:39].[K+:40].[OH2:41].[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34]>>[CH:1]1([CH2:4][N:5]2[CH2:6][CH2:7][N:8]([c:11]3[c:12]([C:17]4=[CH:18][C:19]([CH3:25])([CH3:26])[CH2:20][C:21]([CH3:23])([CH3:24])[CH2:22]4)[cH:13][cH:14][cH:15][cH:16]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 962WaterHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 113032171-[2-(4-Cyclopropylmethylpiperazin-1-yl)phenyl]-3,3,5,5-tetramethylcyclohexanol

Product 1

HCID 114168891-Cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohex-1-enyl)phenyl]piperazine

Sources & evidence

ORD record
ord-e6fe0a2f2df2411a81da1f4bffdaff21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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