Potassium Cation → 3-Propan-2-yl-4-[[4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]piperazin-2-one

HRID 2335953Notes

Reaction equation

HRID 2335953 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH3:1][S:2]([O:3][CH2:6][CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)(=[O:4])=[O:5].[CH3:50][C:51]#[N:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:34]([CH3:35])([CH3:36])[CH:37]1[C:38](=[O:43])[NH:39][CH2:40][CH2:41][NH:42]1.[K+:48].[K+:49]>>[CH2:6]([CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)[N:42]1[CH:37]([CH:34]([CH3:35])[CH3:36])[C:38](=[O:43])[NH:39][CH2:40][CH2:41]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 448908153-(Propan-2-yl)piperazin-2-oneHCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Product 1

HCID 764623963-Propan-2-yl-4-[[4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]piperazin-2-one

Sources & evidence

ORD record
ord-f63409a9deb845af87040f801db913bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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