5-Methyl-3-phenylisoxazole-4-carbonyl chloride → 3-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}propyl 5-methyl-3-phenyl-4-isoxazolecarboxylate

반응식

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

참가 물질

반응물 2

HCID 856245-Methyl-3-phenylisoxazole-4-carbonyl chloride

HCID 22048877N-{3-[1-(3-Hydroxypropyl)-4-piperidinyl]phenyl}-2-methylpropanamide

생성물 1

HCID 220490213-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}propyl 5-methyl-3-phenyl-4-isoxazolecarboxylate

출처 및 근거

ORD 기록: ord-f90aa89f93b4464682bc723fb8fdd457
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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