Acetic Acid → 6-(1-Methylethyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine
반응식
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][cH:9][c:10](-[n:13]3[n:14][c:15]4[c:21]([cH:22]3)[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]4)[cH:11][cH:12]2)[n:6]1.[CH3:23][C:24]([CH3:25])=[O:26].[CH3:27][C:28](=[O:29])[OH:30].[CH3:48][OH:49].[Cl:45][CH2:46][Cl:47].[Na+:44]>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][cH:9][c:10](-[n:13]3[n:14][c:15]4[c:21]([cH:22]3)[CH2:20][CH2:19][N:18]([CH:24]([CH3:23])[CH3:25])[CH2:17][CH2:16]4)[cH:11][cH:12]2)[n:6]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-8799b899e0554733a2ef1da6ba68ca87
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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