1,3-Dioxolane-2-methanamine, N-methyl- → N-[4-({2-[(1,3-Dioxolan-2-ylmethyl)(methyl)amino]pyrimidin-4-yl}oxy)-1-naphthyl]-3-fluoro-5-morpholin-4-ylbenzamide

반응식

[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][c:11]([O:18][c:19]3[n:20][c:21]([S:25]([CH3:26])(=[O:27])=[O:28])[n:22][cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:29][c:30]([N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[cH:31]1.[O:38]1[CH:39]([CH2:43][NH:44][CH3:45])[O:40][CH2:41][CH2:42]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][c:11]([O:18][c:19]3[n:20][c:21]([N:44]([CH2:43][CH:39]4[O:38][CH2:42][CH2:41][O:40]4)[CH3:45])[n:22][cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:29][c:30]([N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[cH:31]1

참가 물질

반응물 2

HCID 5417541,3-Dioxolane-2-methanamine, N-methyl-

HCID 595530953-fluoro-N-(4-{[2-(methylsulfonyl)pyrimidin-4-yl]oxy}-1-naphthyl)-5-morpholin-4-ylbenzamide

생성물 1

HCID 59553263N-[4-({2-[(1,3-Dioxolan-2-ylmethyl)(methyl)amino]pyrimidin-4-yl}oxy)-1-naphthyl]-3-fluoro-5-morpholin-4-ylbenzamide

출처 및 근거

ORD 기록: ord-9f7ee471ccd944f4afdbbffa8ccad4db
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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