Pentylamine → 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-YL]-[1,3,4]oxadiazole-2-carboxylic acid pentylamide

반응식

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

참가 물질

반응물 3

HCID 8060Pentylamine

HCID 57659021Ethyl 5-{4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3,4-oxadiazole-2-carboxylate

HCID 178511850HCID 178511850, 화합물

생성물 1

HCID 115757855-[4-(2-Trifluoromethylbenzoyl)piperazin-1-YL]-[1,3,4]oxadiazole-2-carboxylic acid pentylamide

출처 및 근거

ORD 기록: ord-aee6349fbbaa42cc932c448ded6c47ac
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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