Ethanol → 5-Cyclopropyl-2-(5-methyl-6-phenylpyridin-3-ylamino)benzoic acid
반응식
[CH3:31][CH2:32][OH:33].[CH:1]1([c:4]2[cH:5][cH:6][c:7]([NH:15][c:16]3[cH:17][n:18][c:19](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:20]([CH3:22])[cH:21]3)[c:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:14]2)[CH2:2][CH2:3]1.[Na+:30].[OH-:29].[OH2:34]>>[CH:1]1([c:4]2[cH:5][cH:6][c:7]([NH:15][c:16]3[cH:17][n:18][c:19](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:20]([CH3:22])[cH:21]3)[c:8]([C:9](=[O:10])[OH:11])[cH:14]2)[CH2:2][CH2:3]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-38e90bcea9ad45428b013452a5531643
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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