1-Butanol → 1-[4-(3-Chloro-4-methoxy-phenylamino)-6-phenyl-pyrimidin-2-yl]-piperidin-4-ol

반응식

[CH2:31]([OH:32])[CH2:33][CH2:34][CH3:35].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][CH:17]([OH:20])[CH2:18][CH2:19]2)[n:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[Cl:21][c:22]1[cH:23][c:24]([NH2:25])[cH:26][cH:27][c:28]1[O:29][CH3:30]>>[c:2]1([NH:25][c:24]2[cH:23][c:22]([Cl:21])[c:28]([O:29][CH3:30])[cH:27][cH:26]2)[n:3][c:4]([N:14]2[CH2:15][CH2:16][CH:17]([OH:20])[CH2:18][CH2:19]2)[n:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1

참가 물질

반응물 3

HCID 2631-Butanol

HCID 214413-Chloro-4-methoxyaniline

HCID 586261271-(4-Chloro-6-phenyl-pyrimidin-2-yl)-piperidin-4-ol

생성물 1

HCID 115533401-[4-(3-Chloro-4-methoxy-phenylamino)-6-phenyl-pyrimidin-2-yl]-piperidin-4-ol

출처 및 근거

ORD 기록: ord-341c6d7bb36d4fa58f5f07ad4872a0cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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