Bicarbonate Ion → 4-(chloromethyl)-1-phenyl-1H-pyrazole
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[C:18](=[O:19])([O-:20])[OH:21].[Cl:23][CH2:24][Cl:25].[Na+:22].[S:14]([Cl:15])([Cl:16])=[O:17].[c:1]1(-[n:7]2[n:8][cH:9][c:10]([CH2:12][OH:13])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][cH:9][c:10]([CH2:12][Cl:16])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-119eeb0ae62e48c3afe2f2b9d497fb79
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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