Potassium Cation → HCID 77148617, compound

HRID 1223269Notes

Reaction equation

[C:43](=[O:44])([O-:45])[O-:46].[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].[CH3:34][C:35]1([CH3:42])[C:36](=[O:41])[NH:37][CH2:38][CH2:39][NH:40]1.[CH3:49][C:50]#[N:51].[K+:47].[K+:48]>>[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:40]1[C:35]([CH3:34])([CH3:42])[C:36](=[O:41])[NH:37][CH2:38][CH2:39]1

Participants

Reactant 5

HCID 813Potassium Cation2×

HCID 6342Acetonitrile

HCID 19660Carbonate Ion

HCID 2111572-Piperazinone, 3,3-dimethyl-

HCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Product 1

HCID 77148617HCID 77148617, compound

Sources & evidence

ORD record: ord-30de3ac2138b4a2382e6a2f18609d87c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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