Acetonitrile → N-[3-[3-(3-methylpiperidinomethyl)phenoxy]propyl]-3-pyridinecarboxamide 1-oxide

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 16976Oxiniacic Acid

HCID 140261883-{3-[(3-Methylpiperidin-1-yl)methyl]phenoxy}propan-1-amine

생성물 1

HCID 6917813N-[3-[3-(3-methylpiperidinomethyl)phenoxy]propyl]-3-pyridinecarboxamide 1-oxide

출처 및 근거

ORD 기록: ord-fffa976574f6486bab1d9f96efd4bd65
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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