Ethanol → 5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[4-(methylsulfonyl)phenyl]amino}thiophene-3-carboxamide

HRID 111996

Reaction equation

HRID 111996 reaction equation
[CH3:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([Br:32])[cH:30][cH:31]1.[CH3:39][CH2:40][OH:41].[K+:33].[K+:34].[NH2:1][c:2]1[s:3][c:4](-[c:10]2[c:11]([F:21])[cH:12][c:13]([C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][c:15]2[F:16])[cH:5][c:6]1[C:7](=[O:8])[NH2:9].[O-:35][C:36]([O-:37])=[O:38]>>[NH:1]([c:2]1[s:3][c:4](-[c:10]2[c:11]([F:21])[cH:12][c:13]([C:17]([CH3:18])([CH3:19])[OH:20])[cH:14][c:15]2[F:16])[cH:5][c:6]1[C:7](=[O:8])[NH2:9])[c:29]1[cH:28][cH:27][c:26]([S:23]([CH3:22])(=[O:24])=[O:25])[cH:31][cH:30]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 770141-Bromo-4-(methylsulphonyl)benzeneHCID 595256192-Amino-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide

Product 1

HCID 446100635-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[4-(methylsulfonyl)phenyl]amino}thiophene-3-carboxamide

Sources & evidence

ORD record
ord-19206ff3a0304f168bf03ab78e5ad8aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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