Acetic Acid → [1-(3,5-Diisopropoxy-benzyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1)=[O:14].[C:35]([BH3-:36])#[N:37].[CH3:31][C:32](=[O:33])[OH:34].[CH3:39][CH2:40][OH:41].[CH:15]([CH3:16])([CH3:17])[O:18][c:19]1[cH:20][c:21]([CH:22]=[O:23])[cH:24][c:25]([O:27][CH:28]([CH3:29])[CH3:30])[cH:26]1.[Na+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][N:11]([CH2:22][c:21]2[cH:20][c:19]([O:18][CH:15]([CH3:16])[CH3:17])[cH:26][c:25]([O:27][CH:28]([CH3:29])[CH3:30])[cH:24]2)[CH2:12][CH2:13]1)=[O:14]참가 물질
7
출처 및 근거
- ORD 기록
- ord-6c1b0f05a48d485188f689ffbf04c4b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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