Potassium Cation → (4-Aminophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone

HRID 121687Notes

Reaction equation

HRID 121687 reaction equation
[Br:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([C:38]([C:39]([F:40])([F:41])[F:42])([C:43]([F:44])([F:45])[F:46])[OH:47])[cH:36][cH:37]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:57][C:58]#[N:59].[Cl:54][CH2:55][Cl:56].[K+:52].[K+:53].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:12][CH2:13]2)[cH:21][cH:22]1.[OH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:32]3[cH:33][cH:34][c:35]([C:38]([C:39]([F:40])([F:41])[F:42])([C:43]([F:44])([F:45])[F:46])[OH:47])[cH:36][cH:37]3)[CH2:12][CH2:13]2)[cH:21][cH:22]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 2763355tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylateHCID 235273962-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Product 1

HCID 86638547(4-Aminophenyl)(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)methanone

Sources & evidence

ORD record
ord-00777b1d0e434a2dba64007a96079f3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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