반응식
[C:22]([CH:23]=[CH2:24])(=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30].[C:2]12([CH2:12][CH2:13][NH2:14])[CH2:3][CH:4]3[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][CH2:39][OH:40].[ClH:1].[ClH:31]>>[C:2]12([CH2:12][CH2:13][NH:14][CH2:24][CH2:23][C:22](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:3][CH:4]3[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[ClH:1]참가 물질
8
출처 및 근거
- ORD 기록
- ord-3b366927896c4996ad5b8ad5d83f7bf8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…