2,2-Dimethyldodecanoic acid → N-{2-t-Butyl-5-[4-cyclohexyl-3-(t-butyldimethylsilyloxy)butyl]phenyl}-2,2-dimethyldodecanamide
반응식
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[c:22]([NH2:23])[cH:24][c:25]([CH2:28][CH2:29][CH:30]([CH2:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:26][cH:27]1.[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[CH3:16]>>[CH3:1][C:2]([C:3](=[O:5])[NH:23][c:22]1[c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:27][cH:26][c:25]([CH2:28][CH2:29][CH:30]([CH2:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:24]1)([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[CH3:16]참가 물질
3
출처 및 근거
- ORD 기록
- ord-37460b1220234e4cb9fb8c0ad2b5be77
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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