Hydrochloric Acid → 4-Fluoro-2-(4-fluorophenyl)-5-(4-methoxy-2-methyl-5-(1-(pyrimidin-4-yl)cyclopropylcarbamoyl)phenyl)-N-methylbenzofuran-3-carboxamide

HRID 294568Notes

Reaction equation

HRID 294568 reaction equation
[ClH:44].[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:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50].[n:34]1[cH:35][n:36][c:37]([C:40]2([NH2:43])[CH2:41][CH2:42]2)[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:37]4[n:36][cH:35][n:34][cH:39][cH:38]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

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 592754645-(4-Fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl) 2-methoxy-4-methylbenzoic acidHCID 639879361-(Pyrimidin-4-yl)cyclopropanamine

Product 1

HCID 534680294-Fluoro-2-(4-fluorophenyl)-5-(4-methoxy-2-methyl-5-(1-(pyrimidin-4-yl)cyclopropylcarbamoyl)phenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-9a8edb0358e4457c92dad102daa84f9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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