N,N-Dimethylethylenediamine → 4-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-N-(2-dimethylamino-ethyl)-benzamide

반응식

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

참가 물질

반응물 2

HCID 66053N,N-Dimethylethylenediamine

HCID 672653784-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-benzoic acid

생성물 1

HCID 672656884-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-N-(2-dimethylamino-ethyl)-benzamide

출처 및 근거

ORD 기록: ord-a9475aec3a074011af95fb42bc5d8596
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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