Potassium Cation → 2-[4-[2-[(3-Ethylmorpholin-4-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol

HRID 946295Notes

Reaction equation

HRID 946295 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH2:34]([CH3:35])[CH:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]1.[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].[CH3:48][C:49]#[N:50].[K+:46].[K+:47]>>[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:41]1[CH:36]([CH2:34][CH3:35])[CH2:37][O:38][CH2:39][CH2:40]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 142677823-EthylmorpholineHCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Product 1

HCID 771483332-[4-[2-[(3-Ethylmorpholin-4-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol

Sources & evidence

ORD record
ord-22785062854d461887e7e8cffc3d562f
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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