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

HRID 2337064

反応式

HRID 2337064 の反応式
[CH3:29][c:30]1[n:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH: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:34]([c:33]4[cH:32][n:31][c:30]([CH3:29])[cH:38][cH:37]4)=[O:35])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1

参加物

3

反応物 2

HCID 1378606-Methylnicotinic acidHCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol

生成物 1

HCID 58603676N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-6-methyl-nicotinamide

出典と根拠

ORDレコード
ord-d05d2e504e9f4418ac853bc62c2d4d58
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

関連ノート

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