Water → Methyl 3-(2-cyanopyrrol-1-yl)benzoate
반응식
[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[Cl:1][S:2](=[O:4])([N:5]=[C:6]=[O:3])=[O:7].[Cl:29][CH2:30][Cl:31].[OH2:28].[n:8]1(-[c:13]2[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22]2)[cH:9][cH:10][cH:11][cH:12]1>>[N:5]#[C:6][c:12]1[n:8](-[c:13]2[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22]2)[cH:9][cH:10][cH:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-61359776ec454867a59e493d0fd85b43
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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