Chloride → Methyl 3-[5-chloro-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoate
반응식
[C:1]([O:2][N:3]=[O:4])([CH3:5])([CH3:6])[CH3:7].[CH3:9][C:10]#[N:11].[Cl-:8].[NH2:12][c:13]1[c:14]([C:28]([NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)=[O:36])[cH:15][n:16][n:17]1-[c:18]1[cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][cH:27]1.[OH2:37]>>[Cl:8][c:13]1[c:14]([C:28]([NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)=[O:36])[cH:15][n:16][n:17]1-[c:18]1[cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][cH:27]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-276e86d4b4a44f07862ac46d0d922fe2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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