Ethanol → 3-(3,5-Dibromo-4-hydroxyphenyl)-N-(4-(trifluoromethoxy)benzyl)-1,2,4-oxadiazole-5-carboxamide

반응식

[Br:1][c:2]1[cH:3][c:4](-[c:10]2[n:11][o:12][c:13]([C:15]([O:17][CH2:16][CH3:18])=[O:19])[n:14]2)[cH:5][c:6]([Br:9])[c:7]1[OH:8].[CH3:33][CH2:34][OH:35].[F:20][C:21]([O:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][NH2:28])[cH:29][cH:30]1)([F:31])[F:32]>>[Br:1][c:2]1[cH:3][c:4](-[c:10]2[n:11][o:12][c:13]([C:15](=[O:17])[NH:28][CH2:27][c:26]3[cH:25][cH:24][c:23]([O:22][C:21]([F:20])([F:31])[F:32])[cH:30][cH:29]3)[n:14]2)[cH:5][c:6]([Br:9])[c:7]1[OH:8]

참가 물질

반응물 3

HCID 702Ethanol

HCID 5718464-(Trifluoromethoxy)benzylamine

HCID 136139598Ethyl 3-(3,5-dibromo-4-hydroxyphenyl)-1,2,4-oxadiazole-5-carboxylate

생성물 1

HCID 1358704723-(3,5-Dibromo-4-hydroxyphenyl)-N-(4-(trifluoromethoxy)benzyl)-1,2,4-oxadiazole-5-carboxamide

출처 및 근거

ORD 기록: ord-ce6058dfff0c46729ad6b99f6c8b2a5d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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