4-Aminotetrahydropyran → 6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-{1-[(tetrahydro-pyran-4-ylcarbamoyl)-methyl]-piperidin-3-yl}-nicotinamide

반응식

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

참가 물질

반응물 2

HCID 4192234-Aminotetrahydropyran

HCID 57520097(3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl)-acetic acid

생성물 1

HCID 684447596-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-{1-[(tetrahydro-pyran-4-ylcarbamoyl)-methyl]-piperidin-3-yl}-nicotinamide

출처 및 근거

ORD 기록: ord-f63a862416fb42348b6704ff29ec2e4f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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