3-(2-Chloro-5-methylpyrimidin-4-yl)-1H-indole → N-[5-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]phenyl]-4-(1H-indol-3-yl)-5-methyl-pyrimidin-2-amine

반응식

[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:17])[c:6](-[c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:7]1.[F:18][c:19]1[c:20]([N:28]2[CH2:29][CH2:30][CH:31]([N:34]3[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]3)[CH2:32][CH2:33]2)[cH:21][c:22]([O:26][CH3:27])[c:23]([NH2:24])[cH:25]1>>[c:2]1([NH:24][c:23]2[c:22]([O:26][CH3:27])[cH:21][c:20]([N:28]3[CH2:29][CH2:30][CH:31]([N:34]4[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]4)[CH2:32][CH2:33]3)[c:19]([F:18])[cH:25]2)[n:3][cH:4][c:5]([CH3:17])[c:6](-[c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:7]1

참가 물질

반응물 2

HCID 580714243-(2-Chloro-5-methylpyrimidin-4-yl)-1H-indole

HCID 580714395-Fluoro-2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline

생성물 1

HCID 66710140N-[5-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]phenyl]-4-(1H-indol-3-yl)-5-methyl-pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-01990f03653c40658e75a0e2c5a428e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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