N-(2-Aminoethyl)piperidine → 4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)benzamide

반응식

[NH2:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][CH:28]3[CH2:29][CH2:30][CH2:31][N:32]3[CH3:33])[cH:21][cH:22]2)[n:15][n:16]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][CH2:36][N:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:21][cH:22]2)[n:15][n:16]1

참가 물질

반응물 2

HCID 33944N-(2-Aminoethyl)piperidine

HCID 21108560N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

생성물 1

HCID 211085614-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylethyl)benzamide

출처 및 근거

ORD 기록: ord-a954de393535497fb599f5341aa88ddf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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