Acetate → HCID 178498357, compound

HRID 313714Notes

Reaction equation

HRID 313714 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([CH:8]([CH3:9])[NH:10][S:11](=[O:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[n:6][cH:7]1.[CH3:19][C:20](=[O:21])[O-:22].[Cl:34][c:35]1[c:36]([C:37](=[O:38])[O:39][CH3:40])[c:41]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[cH:42][c:43]([Cl:45])[cH:44]1.[K+:18].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:23][O:24][C:25]([c:26]1[cH:27][c:28]([Cl:29])[cH:30][cH:31][cH:32]1)=[O:33]>>[c:2]1(-[c:41]2[c:36]([C:37](=[O:38])[O:39][CH3:40])[c:35]([Cl:34])[cH:44][c:43]([Cl:45])[cH:42]2)[cH:3][c:4]([F:17])[c:5]([CH:8]([CH3:9])[NH:10][S:11](=[O:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 70297m-Chloroperbenzoic acidHCID 21075880Methyl 2,4-dichloro-6-{[(trifluoromethyl)sulfonyl]oxy}benzoateHCID 21075887N-[1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

Product 1

HCID 178498357HCID 178498357, compound

Sources & evidence

ORD record
ord-f2a5fbe3e7a643b387cb1a931ff5208f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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