Potassium Cation → HCID 76462412, compound

HRID 1211499Notes

Reaction equation

HRID 1211499 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[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].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[K+:45].[K+:46].[NH:34]1[C:35](=[O:40])[CH2:36][NH:37][CH2:38][CH2:39]1>>[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:37]1[CH2:36][C:35](=[O:40])[NH:34][CH2:39][CH2:38]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 231360Piperazin-2-oneHCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Product 1

HCID 76462412HCID 76462412, compound

Sources & evidence

ORD record
ord-e0c1e03a53424606bcfc2198a9a2653e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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