Dimethylformamide → 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

HRID 188039Notes

Reaction equation

HRID 188039 reaction equation
[CH3:63][C:64]([CH3:65])([CH3:66])[NH2:67].[CH3:73][C:74]#[N:75].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]2)[cH:28][cH:29]3)[cH:15][cH:16]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[NH:67][C:64]([CH3:63])([CH3:65])[CH3:66])[cH:36][cH:37][cH:38]2)[cH:28][cH:29]3)[cH:15][cH:16]1

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 592754243-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

Product 1

HCID 534686535-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Sources & evidence

ORD record
ord-8fe74643e2f9478ebe787fa7e77db1be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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