Methanol → 4-fluoro-2-(4-fluorophenyl)-5-(4-methoxy-2-methyl-5-(1-(pyrimidin-2-yl)cyclopropylcarbamoyl)phenyl)-N-methylbenzofuran-3-carboxamide

HRID 310089Notes

Reaction equation

HRID 310089 reaction equation
[CH3:65][OH:66].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[F:1][c:2]1[c:3](-[c:22]2[c:23]([CH3:33])[cH:24][c:25]([O:31][CH3:32])[c:26]([C:27](=[O:28])[OH:29])[cH:30]2)[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.[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[n:34]1[c:35]([C:40]2([NH2:43])[CH2:41][CH2:42]2)[n:36][cH:37][cH:38][cH:39]1>>[F:1][c:2]1[c:3](-[c:22]2[c:23]([CH3:33])[cH:24][c:25]([O:31][CH3:32])[c:26]([C:27](=[O:28])[NH:43][C:40]3([c:35]4[n:34][cH:39][cH:38][cH:37][n:36]4)[CH2:41][CH2:42]3)[cH:30]2)[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

7

Reactant 6

HCID 887MethanolHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 569656591-(Pyrimidin-2-yl)cyclopropan-1-amineHCID 592754645-(4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl) 2-methoxy-4-methylbenzoic acid

Product 1

HCID 592757324-fluoro-2-(4-fluorophenyl)-5-(4-methoxy-2-methyl-5-(1-(pyrimidin-2-yl)cyclopropylcarbamoyl)phenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-db1546c4d17d42cc9f667bdee9da5b9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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