Dimethylformamide → 5-(5-(1-(4,6-dimethylpyrimidin-2-yl)cyclopropylcarbamoyl)-4-methoxy-2-methylphenyl)-4-fluoro-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 199973Notes

Reaction equation

HRID 199973 reaction equation
[CH2:46]([N:47]([CH2:48][CH3:49])[CH2:50][CH3:51])[CH3:52].[CH3:34][c:35]1[n:36][c:37]([C:42]2([NH2:45])[CH2:43][CH2:44]2)[n:38][c:39]([CH3:41])[cH:40]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])[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.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[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:29])[NH:45][C:42]3([c:37]4[n:36][c:35]([CH3:34])[cH:40][c:39]([CH3:41])[n:38]4)[CH2:43][CH2:44]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

5

Reactant 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 552956881-(4,6-Dimethyl-2-pyrimidinyl)cyclopropanamineHCID 592754645-(4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl) 2-methoxy-4-methylbenzoic acid

Product 1

HCID 595051605-(5-(1-(4,6-dimethylpyrimidin-2-yl)cyclopropylcarbamoyl)-4-methoxy-2-methylphenyl)-4-fluoro-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-dfeca4c9d4454aab8223b8f1ea40dfb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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