Sodium Ion → 2-Hydroxy-3-(N,N-dibutylcarbamoylmethoxy)-3,3-diphenylpropionic acid
반응식
[Na+:34].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH-:33].[OH2:35].[OH:1][CH:2]([C:3](=[O:4])[O:5][CH3:6])[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][C:22]([N:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH2:30][CH3:31])=[O:32]>>[OH:1][CH:2]([C:3](=[O:4])[OH:5])[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][C:22]([N:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH2:30][CH3:31])=[O:32]참가 물질
6
출처 및 근거
- ORD 기록
- ord-1d75a37440a8453ba33b1fdebdd528ed
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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