Sodium Ion → 2-(5-Nitro-6-trifluoromethyl-1H-indol-2-yl)-1-(2,2,2-trifluoro-ethylsulfanyl)-butan-2-ol
반응식
[CH3:1][S:2](=[O:3])(=[O:4])[n:5]1[c:6]([C:21]([CH2:22][S:23][CH2:24][C:25]([F:26])([F:27])[F:28])([CH2:29][CH3:30])[OH:31])[cH:7][c:8]2[cH:9][c:10]([N+:18](=[O:19])[O-:20])[c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][c:13]12.[Na+:33].[OH-:32]>>[nH:5]1[c:6]([C:21]([CH2:22][S:23][CH2:24][C:25]([F:26])([F:27])[F:28])([CH2:29][CH3:30])[OH:31])[cH:7][c:8]2[cH:9][c:10]([N+:18](=[O:19])[O-:20])[c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][c:13]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-32285f1887324c549f38ff40ffa92e3b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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