Dimethylformamide → 1-({2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]-1H-benzimidazol-5-yl}sulfonyl)-1H-pyrazole-4-carboxylic acid
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][C:14]([F:17])([F:18])[CH2:15][CH2:16]1)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[n:26]1[n:27][cH:28][c:29]([CH:31]=[O:32])[cH:30]1)[cH:22]2.[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][C:14]([F:17])([F:18])[CH2:15][CH2:16]1)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[n:26]1[n:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[cH:30]1)[cH:22]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-a28a8b1df2d7468db111de59b64d3248
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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