Bicarbonate Ion → 1-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
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[C:18]([O-:19])(=[O:20])[OH:21].[Cl:6][c:7]1[cH:8][cH:9][c:10](-[n:13]2[n:14][cH:15][cH:16][cH:17]2)[cH:11][cH:12]1.[Na+:22].[O:23]=[CH:24][N:25]([CH3:26])[CH3:27].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[Cl:6][c:7]1[cH:8][cH:9][c:10](-[n:13]2[n:14][cH:15][c:16]([CH:18]=[O:19])[cH:17]2)[cH:11][cH:12]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-d995d281e0cb4fa7bece344c4a3bc8c7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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