5-Methylnicotinic acid → N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-5-methyl-nicotinamide

HRID 701994Notes

Reaction equation

HRID 701994 reaction equation
[CH3:29][c:30]1[cH:31][n:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38]1.[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>>[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][cH:31][c:30]([CH3:29])[cH:38]4)=[O:36])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1

Participants

3

Reactant 2

HCID 2562085-Methylnicotinic acidHCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol

Product 1

HCID 58603586N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-5-methyl-nicotinamide

Sources & evidence

ORD record
ord-36d5a66aeca246c78814dfb231942b03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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