Acetic Acid → (4-{[(5-{[(3-Chlorophenyl)methyl]oxy}-2-methylphenyl)carbonyl]amino}-3-methylphenyl)acetic acid
반응식
[CH3:34][C:35](=[O:36])[OH:37].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH3:32])[c:14]([C:16](=[O:17])[NH:18][c:19]3[c:20]([CH3:31])[cH:21][c:22]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:23][cH:24]3)[cH:15]2)[cH:5][cH:6][cH:7]1.[ClH:33]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH3:32])[c:14]([C:16](=[O:17])[NH:18][c:19]3[c:20]([CH3:31])[cH:21][c:22]([CH2:25][C:26](=[O:27])[OH:28])[cH:23][cH:24]3)[cH:15]2)[cH:5][cH:6][cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-f2fb613f7ebe410bbdcb4dd0ed0c28c3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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