4-Amino-1-methylpiperidine → 8-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-(1-methyl-piperidin-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

반응식

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

참가 물질

반응물 2

HCID 27375314-Amino-1-methylpiperidine

HCID 596395548-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-methanesulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

생성물 1

HCID 101627758-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-(1-methyl-piperidin-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

출처 및 근거

ORD 기록: ord-5dfb93fa0e2b44b5b9def88d7d179af2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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