Ethanol → 2-(2-Difluoromethoxy-benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-butyric acid
반응식
[CH3:39][CH2:40][OH:41].[F:27][CH:28]([O:29][c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1[CH2:36][Br:37])[F:38].[Na+:26].[O:1]1[CH2:2][CH2:3][N:4]([C:7]([CH2:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][S:14](=[O:15])(=[O:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH2:5][CH2:6]1.[OH-:25].[OH2:42]>>[O:1]1[CH2:2][CH2:3][N:4]([C:7]([CH2:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][S:14](=[O:15])(=[O:16])[CH2:17][c:18]2[c:19]([O:29][CH:28]([F:27])[F:38])[cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH2:5][CH2:6]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-62a7667dfee64196ab126343b7dc1cc9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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