Cyclobutylamine → Tert-butyl 3-[3-[(cyclobutylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate

반응식

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

참가 물질

반응물 2

HCID 75645Cyclobutylamine

HCID 178427704HCID 178427704, 화합물

생성물 1

HCID 21305080Tert-butyl 3-[3-[(cyclobutylamino)methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate

출처 및 근거

ORD 기록: ord-ae536b02ed014163815fb4d7b8e10e4f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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