2-(3,4-dimethylphenyl)benzoic Acid → [3-[(5-Bromopyrimidin-2-yl)amino]piperidin-1-yl]-[2-(3,4-dimethylphenyl)phenyl]methanone

반응식

[Br:18][c:19]1[cH:20][n:21][c:22]([NH:25][CH:26]2[CH2:27][NH:28][CH2:29][CH2:30][CH2:31]2)[n:23][cH:24]1.[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[c:10]([C:15](=[O:16])[OH:17])[cH:11][cH:12][cH:13][cH:14]2)[cH:5][cH:6][c:7]1[CH3:8]>>[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[c:10]([C:15](=[O:17])[N:28]3[CH2:27][CH:26]([NH:25][c:22]4[n:21][cH:20][c:19]([Br:18])[cH:24][n:23]4)[CH2:31][CH2:30][CH2:29]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:5][cH:6][c:7]1[CH3:8]

참가 물질

반응물 2

HCID 27585452-(3,4-dimethylphenyl)benzoic Acid

HCID 63872105(5-Bromo-pyrimidin-2-yl)-piperidin-3-ylamine

생성물 1

HCID 66639358[3-[(5-Bromopyrimidin-2-yl)amino]piperidin-1-yl]-[2-(3,4-dimethylphenyl)phenyl]methanone

출처 및 근거

ORD 기록: ord-22e2604698cd4553a18512cbf66242ab
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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