Benzonitrile, 3-(bromomethyl)- → N-[4-[5-[(3-cyanobenzyl)thio]-1,3,4-oxadiazol-2-yl]-2-pyridyl]-3-phenylpropionamide

반응식

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

참가 물질

반응물 2

HCID 97249Benzonitrile, 3-(bromomethyl)-

HCID 178520430HCID 178520430, 화합물

생성물 1

HCID 68664020N-[4-[5-[(3-cyanobenzyl)thio]-1,3,4-oxadiazol-2-yl]-2-pyridyl]-3-phenylpropionamide

출처 및 근거

ORD 기록: ord-9036433f3d424d79bb8bd2ef633198f8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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