Dimethylformamide → 5-(5-(tert-butylcarbamoyl)-2-methoxyphenyl)-4-fluoro-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 305914Notes

Reaction equation

HRID 305914 reaction equation
[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:42][C:43]([CH3:44])([CH3:45])[NH2:46].[CH3:71][C:72]#[N:73].[F:1][c:2]1[c:3](-[c:22]2[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][c:30]2[O:31][CH3:32])[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:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[F:1][c:2]1[c:3](-[c:22]2[cH:23][c:24]([C:25](=[O:27])[NH:46][C:43]([CH3:42])([CH3:44])[CH3:45])[cH:28][cH:29][c:30]2[O:31][CH3:32])[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 6228DimethylformamideHCID 6342AcetonitrileHCID 6385Tert-ButylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 584729733-(4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methoxybenzoic acid

Product 1

HCID 584726295-(5-(tert-butylcarbamoyl)-2-methoxyphenyl)-4-fluoro-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-2d36635087764277908ad591649ffd3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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