Potassium Cation → Tert-butyl 4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3-(hydroxymethyl)piperazine-1-carboxylate

HRID 1115358Notes

Reaction equation

HRID 1115358 reaction equation
[Br:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:22][cH:23]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][C:43]#[N:44].[Cl:45][CH2:46][Cl:47].[I-:35].[K+:40].[K+:41].[Na+:34].[OH:1][CH2:2][CH:3]1[CH2:4][N:5]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:6][CH2:7][NH:8]1>>[OH:1][CH2:2][CH:3]1[CH2:4][N:5]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:6][CH2:7][N:8]1[CH2:17][c:18]1[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:22][cH:23]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 223865084-N-Boc-2-hydroxymethylpiperazineHCID 235273962-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Product 1

HCID 87253414Tert-butyl 4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3-(hydroxymethyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-35a25667cf5e47d3b9ee282e1637aff0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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