2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid → (RS)-1-(2-Benzothiazol-2-ylmethylpiperidin-1-yl)-1-[2-(3-methyl-[1,2,4]oxadiazol-5-yl)phenyl]-methanone

반응식

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

참가 물질

반응물 2

HCID 231463052-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid

HCID 231463502-Piperidin-2-ylmethylbenzothiazole

생성물 1

HCID 23146323(RS)-1-(2-Benzothiazol-2-ylmethylpiperidin-1-yl)-1-[2-(3-methyl-[1,2,4]oxadiazol-5-yl)phenyl]-methanone

출처 및 근거

ORD 기록: ord-d0015e6a43c04904bfb94ec58919c1f2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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