1-Methylpiperazine → N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

반응식

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

참가 물질

반응물 2

HCID 531671-Methylpiperazine

HCID 18617562N-[2-(3-Cyano-1H-indol-5-yl)-ethyl]-4-[2-chloropyrimidin-4-yl]benzamide

생성물 1

HCID 18617531N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

출처 및 근거

ORD 기록: ord-12e22b15c9254b67b7642e8793f40744
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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