3-Pentanamine → Tert-butyl 6-cyclohexyl-3-[3-[(pentan-3-ylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoate
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].[NH2:36][CH:37]([CH2:38][CH3:39])[CH2:40][CH3:41]>>[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:36][CH:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[n:21][o:22]1)=[O:35]참가 물질
3
출처 및 근거
- ORD 기록
- ord-59c397a3a8de47e38faa60f94f1047b9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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