Sodium ion → 2-[2-({[4-(Trifluoromethyl)phenyl]sulfonyl}oxy)phenyl]cyclopropanecarboxylic acid
반응식
[C:26]([Cl:27])([Cl:28])([Cl:29])[Cl:30].[CH3:31][C:32]#[N:33].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[O:12][c:13]2[c:14]([CH:19]3[CH:20]([CH2:22][OH:23])[CH2:21]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:7][cH:8]1)([F:24])[F:25].[I+3:34]([O-:35])([O-:36])([O-:37])[O-:38].[Na+:39].[OH2:40]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[O:12][c:13]2[c:14]([CH:19]3[CH:20]([C:22](=[O:23])[OH:35])[CH2:21]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:7][cH:8]1)([F:24])[F:25]참가 물질
7
출처 및 근거
- ORD 기록
- ord-409789ff15f34f959e7dcf9568947f10
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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