Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate → (3-(3-Chloro-4-((4-methylpiperazin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone

반응식

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

참가 물질

반응물 2

HCID 13407471Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate

HCID 666532661-(4-(Azetidin-3-yloxy)-2-chlorobenzyl)-4-methylpiperazine

생성물 1

HCID 56597142(3-(3-Chloro-4-((4-methylpiperazin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone

출처 및 근거

ORD 기록: ord-8b03991163724a9782eaa48fbef3132c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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