Sodium ion → 2-[4-(Methanesulfonyl)phenyl]-3-phenylbut-2-ene-1,4-diol
반응식
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:11]2=[C:12]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[C:13](=[O:16])[O:14][CH2:15]2)[cH:9][cH:10]1.[CH3:23][CH:24]([CH2:25][AlH:26][CH2:27][CH:28]([CH3:29])[CH3:30])[CH3:31].[Cl:34][CH2:35][Cl:36].[Na+:33].[OH-:32]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:11](=[C:12]([CH2:13][OH:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:15][OH:14])[cH:9][cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-942301d5bc76475b95144a0b113512ee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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