Ethanol → 2-(Octane-1-sulfonyl)3-[4-(2-piperidin-yl-ethoxy)phenyl]-propionic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:11][cH:12]1)[S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:33].[CH3:36][CH2:37][OH:38].[Na+:35].[OH-:34]>>[O:3]=[C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:11][cH:12]1)[S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[OH:33]참가 물질
5
출처 및 근거
- ORD 기록
- ord-91c5dcc2798347789eb43c70af9de333
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)