Dimethylformamide → 5-(4-chloro-3-(isobutylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 282899Notes

Reaction equation

HRID 282899 reaction equation
[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH3:31][CH:32]([CH2:33][NH2:34])[CH3:35].[CH3:72][C:73]#[N:74].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[c:15]([c:16]([C:26]([NH:27][CH3:28])=[O:29])[c:17](-[c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[o:18]3)[cH:30]2)[cH:9][cH:10]1.[Cl:69][CH2:70][Cl:71].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:34][CH2:33][CH:32]([CH3:31])[CH3:35])[cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[c:15]([c:16]([C:26]([NH:27][CH3:28])=[O:29])[c:17](-[c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[o:18]3)[cH:30]2)[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6558IsobutylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592751302-Chloro-5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)benzoic acid

Product 1

HCID 592753775-(4-chloro-3-(isobutylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-06a90e5bc48344d4a95138ed86e05170
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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