Sodium Ion → 3-(2-Isopropylthio-6-trifluoromethyl-pyridin-3-yl)-acrylic acid
반응식
[CH3:17][CH:18]([CH3:19])[SH:20].[Cl:1][c:2]1[n:3][c:4]([C:13]([F:14])([F:15])[F:16])[cH:5][cH:6][c:7]1[CH:8]=[CH:9][C:10](=[O:11])[OH:12].[H-:21].[Na+:22]>>[c:2]1([S:20][CH:18]([CH3:17])[CH3:19])[n:3][c:4]([C:13]([F:14])([F:15])[F:16])[cH:5][cH:6][c:7]1[CH:8]=[CH:9][C:10](=[O:11])[OH:12]참가 물질
5
출처 및 근거
- ORD 기록
- ord-56e4aedc70554309901d71c2576c2321
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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