Hydrochloric Acid → 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-([1,3]oxazolo[4,5-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

HRID 198077Notes

Reaction equation

HRID 198077 reaction equation
[CH3:77][C:78]#[N:79].[ClH:47].[F:1][c:2]1[c:3](-[c:22]2[c:23]([CH3:33])[cH:24][c:25]([O:31][CH3:32])[c:26]([C:27](=[O:28])[OH:29])[cH:30]2)[cH:4][cH:5][c:6]2[c:7]1[c:8]([C:18]([NH:19][CH3:20])=[O:21])[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[o:10]2.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[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.[o:34]1[c:35]([C:43]2([NH2:46])[CH2:44][CH2:45]2)[n:36][c:37]2[cH:38][n:39][cH:40][cH:41][c:42]12>>[F:1][c:2]1[c:3](-[c:22]2[c:23]([CH3:33])[cH:24][c:25]([O:31][CH3:32])[c:26]([C:27](=[O:29])[NH:46][C:43]3([c:35]4[o:34][c:42]5[c:37]([n:36]4)[cH:38][n:39][cH:40][cH:41]5)[CH2:44][CH2:45]3)[cH:30]2)[cH:4][cH:5][c:6]2[c:7]1[c:8]([C:18]([NH:19][CH3:20])=[O:21])[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[o:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592754645-(4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl) 2-methoxy-4-methylbenzoic acidHCID 666054301-([1,3]Oxazolo[4,5-c]pyridin-2-yl)cyclopropan-1-amine

Product 1

HCID 533808854-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-([1,3]oxazolo[4,5-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

Sources & evidence

ORD record
ord-b3fc7db3433b461ab45c0abc9d13f857
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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