Water → N-[4-(N,N-Dimethylaminosulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

HRID 1228822

Reaction equation

HRID 1228822 reaction equation
[CH3:35][N:36]([CH3:37])[S:38](=[O:39])(=[O:40])[c:41]1[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]1.[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[F:1][C:2]([C:3]([C:4](=[O:5])[OH:6])([OH:7])[CH3:8])([F:9])[F:10].[N:15]1([c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[CH2:22][CH2:23][CH2:24][CH2:25]1.[OH2:54].[S:11]([Cl:12])([Cl:13])=[O:14]>>[F:1][C:2]([C:3]([C:4](=[O:5])[NH:45][c:44]1[cH:43][cH:42][c:41]([S:38]([N:36]([CH3:35])[CH3:37])(=[O:39])=[O:40])[cH:47][cH:46]1)([OH:7])[CH3:8])([F:9])[F:10]

Participants

8

Reactant 7

HCID 962WaterHCID 24386Thionyl ChlorideHCID 31374DimethylacetamideHCID 74369Benzenesulfonamide, 4-amino-N,N-dimethyl-HCID 755674-PyrrolidinopyridineHCID 81531DiisopropylethylamineHCID 27751253,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

Product 1

HCID 9862760N-[4-(N,N-Dimethylaminosulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Sources & evidence

ORD record
ord-e4d47880d5744624bcf74a73ae25e14c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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