Potassium Cation → HCID 76462433, compound

HRID 2348555Notes

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].[CH:34]([CH3:35])([CH3:36])[NH:37][CH:38]([CH3:39])[CH3:40].[K+:45].[K+:46]>>[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]([CH:34]([CH3:35])[CH3:36])[CH:38]([CH3:39])[CH3:40]

Participants

Reactant 5

HCID 813Potassium Cation2×

HCID 6342Acetonitrile

HCID 7912Diisopropylamine

HCID 19660Carbonate Ion

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

Product 1

HCID 76462433HCID 76462433, compound

Sources & evidence

ORD record: ord-018771b63d5f47199eada31dc215ff40
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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