Methanol → 2-(4-Fluorophenyl)-N-methyl-5-(3-(2-methyl-1-(5-methyl-1H-pyrazol-3-ylamino)-1-oxopropan-2-ylcarbamoyl)phenyl)benzofuran-3-carboxamide

HRID 155438Notes

Reaction equation

HRID 155438 reaction equation
[CH3:45][c:46]1[cH:47][c:48]([NH2:51])[n:49][nH:50]1.[CH3:59][OH:60].[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])[NH:35][C:36]([C:37](=[O:38])[OH:39])([CH3:40])[CH3:41])[cH:42][cH:43][cH:44]2)[cH:28][cH:29]3)[cH:15][cH:16]1.[H-:53].[Na+:52].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[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:35][C:36]([C:37](=[O:39])[NH:51][c:48]4[cH:47][c:46]([CH3:45])[nH:50][n:49]4)([CH3:40])[CH3:41])[cH:42][cH:43][cH:44]2)[cH:28][cH:29]3)[cH:15][cH:16]1

Participants

8

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 931461H-Pyrazol-3-amine, 5-methyl-HCID 166653HydrideHCID 592755572-(3-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)benzamido)-2-methylpropanoic acid

Product 1

HCID 592751832-(4-Fluorophenyl)-N-methyl-5-(3-(2-methyl-1-(5-methyl-1H-pyrazol-3-ylamino)-1-oxopropan-2-ylcarbamoyl)phenyl)benzofuran-3-carboxamide

Sources & evidence

ORD record
ord-e7137a4a9bf449d482a5d6cf3d6dce51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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