Dimethylformamide → 3,5-Dimethyl-isoxazole-4-sulphonic acid (4-[(4'-difluoromethoxy-biphenyl-4-ylamino)-methyl]-5-methyl-furan-2-carbonyl)-amide

HRID 2138512Notes

Reaction equation

HRID 2138512 reaction equation
[CH3:37][c:38]1[n:39][o:40][c:41]([CH3:47])[c:42]1[S:43](=[O:44])(=[O:45])[NH2:46].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[F:10][CH:11]([O:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([NH:25][CH2:26][c:27]3[cH:28][c:29]([C:33](=[O:34])[OH:35])[o:30][c:31]3[CH3:32])[cH:23][cH:24]2)[cH:17][cH:18]1)[F:36].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[F:10][CH:11]([O:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([NH:25][CH2:26][c:27]3[cH:28][c:29]([C:33](=[O:34])[NH:46][S:43]([c:42]4[c:38]([CH3:37])[n:39][o:40][c:41]4[CH3:47])(=[O:44])=[O:45])[o:30][c:31]3[CH3:32])[cH:23][cH:24]2)[cH:17][cH:18]1)[F:36]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 49623033,5-Dimethylisoxazole-4-sulfonamideHCID 184445644-(4'-Difluoromethoxy-biphenyl-4-ylaminomethyl)-5-methyl-furan-2-carboxylic acid

Product 1

HCID 588241993,5-Dimethyl-isoxazole-4-sulphonic acid (4-[(4'-difluoromethoxy-biphenyl-4-ylamino)-methyl]-5-methyl-furan-2-carbonyl)-amide

Sources & evidence

ORD record
ord-7f387968220b4d1db926f4c6a11e499f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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