Hydrochloric Acid → 2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-4-yl)cyclopropyl carbamoyl)phenyl)benzofuran-3-carboxamide

HRID 1145059Notes

Reaction equation

HRID 1145059 reaction equation
[ClH:41].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47].[n:31]1[cH:32][n:33][c:34]([C:37]2([NH2:40])[CH2:38][CH2:39]2)[cH:35][cH:36]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:26])[NH:40][C:37]4([c:34]5[n:33][cH:32][n:31][cH:36][cH:35]5)[CH2:38][CH2:39]4)[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 592756533-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methylbenzoic acidHCID 639879361-(Pyrimidin-4-yl)cyclopropanamine

Product 1

HCID 595051452-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-4-yl)cyclopropyl carbamoyl)phenyl)benzofuran-3-carboxamide

Sources & evidence

ORD record
ord-d0bf7a2b5e614819afe31bbe12166c44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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