Phenylacetic Acid → (5-{2-[(N-ethyl-N-phenylacetyl-amino)-methyl]-4-trifluoromethyl-phenyl}-pyridin-3-yl)-acetic acid methyl ester
반응식
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[c:12]([CH2:21][NH:22][CH2:23][CH3:24])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:25].[c:26]1([CH2:32][C:33](=[O:34])[OH:35])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[c:12]([CH2:21][N:22]([CH2:23][CH3:24])[C:33]([CH2:32][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:35])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-8c30c7fc3eec4f6b9f9d9ee4b2ef4ecd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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