Chloride → 2,4-dichloro-3-(1-methyl-3-methylcarbonyl-1H-pyrazol-5-yl)benzoic acid
반응식
[CH3:22][I:23].[Cl-:25].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([Cl:19])[c:10]1-[c:11]1[n:12][nH:13][c:14]([C:16](=[O:17])[CH3:18])[cH:15]1.[ClH:26].[H-:20].[Na+:21].[Na+:24].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([Cl:19])[c:10]1-[c:11]1[n:12]([CH3:22])[n:13][c:14]([C:16](=[O:17])[CH3:18])[cH:15]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-d2125dcb8ff947239263d3b714e9311d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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