Dimethylformamide → 2-{2-[5-(4-fluoro-phenyl)-3-(2,4,6-trifluoro-benzoyl)-2,3-dihydro-[1,3,4]thiadiazol-2-yl]-phenoxy}-N-(5-methyl-isoxazol-3-yl)-acetamide

HRID 2326521Notes

Reaction equation

HRID 2326521 reaction equation
[CH3:68][c:69]1[cH:70][c:71]([NH2:74])[n:72][o:73]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:24]([c:25]3[c:26]([F:33])[cH:27][c:28]([F:32])[cH:29][c:30]3[F:31])=[O:34])[CH:11]([c:13]3[c:14]([O:15][CH2:16][C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22][cH:23]3)[S:12]2)[cH:6][cH:7]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:24]([c:25]3[c:26]([F:33])[cH:27][c:28]([F:32])[cH:29][c:30]3[F:31])=[O:34])[CH:11]([c:13]3[c:14]([O:15][CH2:16][C:17](=[O:18])[NH:74][c:71]4[cH:70][c:69]([CH3:68])[o:73][n:72]4)[cH:20][cH:21][cH:22][cH:23]3)[S:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 661723-Amino-5-methylisoxazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67278887{2-[5-(4-Fluoro-phenyl)-3-(2,4,6-trifluoro-benzoyl)-2,3-dihydro-[1,3,4]thiadiazol-2-yl]-phenoxy}-acetic acid

Product 1

HCID 580257502-{2-[5-(4-fluoro-phenyl)-3-(2,4,6-trifluoro-benzoyl)-2,3-dihydro-[1,3,4]thiadiazol-2-yl]-phenoxy}-N-(5-methyl-isoxazol-3-yl)-acetamide

Sources & evidence

ORD record
ord-a17212c854c24a43a91b2a0f05e8c2e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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