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

HRID 209600Notes

Reaction equation

HRID 209600 reaction equation
[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:32][CH:33]([CH2:34][NH2:35])[CH3:36].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[O:30][CH3:31])[cH:19][cH:20]3)[cH:6][cH:7]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:26])[NH:35][CH2:34][CH:33]([CH3:32])[CH3:36])[cH:27][cH:28][c:29]2[O:30][CH3:31])[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6558IsobutylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592757493-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methoxybenzoic acid

Product 1

HCID 592756742-(4-fluorophenyl)-5-(5-(isobutylcarbamoyl)-2-methoxyphenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-f555a517a45c484f854b0dde80b87423
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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