Water → 2-bromo-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl]-isonicotinamide

HRID 109408Notes

Reaction equation

HRID 109408 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][n:10]1.[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[F:44][c:45]1[cH:46][cH:47][c:48](-[c:51]2[cH:52][cH:53][c:54]([O:61][CH3:62])[c:55]3[n:56][c:57]([NH2:60])[o:58][c:59]23)[cH:49][cH:50]1.[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:60][c:57]2[n:56][c:55]3[c:54]([O:61][CH3:62])[cH:53][cH:52][c:51](-[c:48]4[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]4)[c:59]3[o:58]2)[cH:8][cH:9][n:10]1

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 2227012-Bromoisonicotinic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 222522347-(4-Fluoro-phenyl)-4-methoxy-benzooxazol-2-ylamine

Product 1

HCID 222522612-bromo-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl]-isonicotinamide

Sources & evidence

ORD record
ord-4138e431f8384edca873903187ce94d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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