1-Methylpiperidine-4-carboxylic acid → 1-Methyl-piperidine-4-carboxylic acid (3-{2-[2-(3-chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-isopropyl-amide

HRID 684568

반응식

HRID 684568 반응식
[CH3:29][N:30]1[CH2:31][CH2:32][CH:33]([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]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:36]([CH:33]4[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]4)=[O:37])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1

참가 물질

3

반응물 2

HCID 27369391-Methylpiperidine-4-carboxylic acidHCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol

생성물 1

HCID 586033921-Methyl-piperidine-4-carboxylic acid (3-{2-[2-(3-chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-isopropyl-amide

출처 및 근거

ORD 기록
ord-0ff652f0c1c64254b43bdedb0e6027b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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