Ethanol → N-(4-{3-[(4-Fluoro-phenyl)-hydroxy-methyl]-4-hydroxy-phenoxy}-3,5-dimethyl-phenyl)-malonamic acid methyl ester
반응식
[CH3:1][O:2][C:3]([CH2:4][C:5](=[O:6])[NH:7][c:8]1[cH:9][c:10]([CH3:32])[c:11]([O:15][c:16]2[cH:17][c:18]([C:23]([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)=[O:31])[c:19]([OH:22])[cH:20][cH:21]2)[c:12]([CH3:14])[cH:13]1)=[O:33].[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Ni:43]>>[CH3:1][O:2][C:3]([CH2:4][C:5](=[O:6])[NH:7][c:8]1[cH:9][c:10]([CH3:32])[c:11]([O:15][c:16]2[cH:17][c:18]([CH:23]([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[OH:31])[c:19]([OH:22])[cH:20][cH:21]2)[c:12]([CH3:14])[cH:13]1)=[O:33]참가 물질
5
출처 및 근거
- ORD 기록
- ord-b77ed13fa15d4847aa4df56c84158c94
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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