6-(Trifluoromethyl)nicotinic acid → N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]pyrimidin-4-yl}-benzyl)-N-isopropyl-6-trifluoromethyl-nicotinamide

HRID 197046Notes

Reaction equation

HRID 197046 reaction equation
[Cl:1][c:2]1[c:3]([OH:28])[cH:4][cH:5][c:6]([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([CH2:23][NH:24][CH:25]([CH3:26])[CH3:27])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1.[F:29][C:30]([c:31]1[n:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1)([F:40])[F:41]>>[Cl:1][c:2]1[c:3]([OH:28])[cH:4][cH:5][c:6]([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([CH2:23][N:24]([CH:25]([CH3:26])[CH3:27])[C:35]([c:34]4[cH:33][n:32][c:31]([C:30]([F:29])([F:40])[F:41])[cH:39][cH:38]4)=[O:36])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1

Participants

3

Reactant 2

HCID 27775516-(Trifluoromethyl)nicotinic acidHCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol

Product 1

HCID 58603528N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]pyrimidin-4-yl}-benzyl)-N-isopropyl-6-trifluoromethyl-nicotinamide

Sources & evidence

ORD record
ord-c9c917d8e02c43cd9dc0b725b5a213ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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