Methyl 2-(3-bromo-5-chlorophenyl)acetate → [2'-(3-Benzyl-1-ethyl-ureidomethyl)-5-chloro-4'-trifluoromethyl-biphenyl-3-yl]-acetic acid methyl ester
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([N:10]([CH2:11][c:12]1[c:13]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)[CH2:31][CH3:32])=[O:33].[CH3:34][O:35][C:36]([CH2:37][c:38]1[cH:39][c:40]([Br:45])[cH:41][c:42]([Cl:44])[cH:43]1)=[O:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([N:10]([CH2:11][c:12]1[c:13](-[c:40]2[cH:39][c:38]([CH2:37][C:36]([O:35][CH3:34])=[O:46])[cH:43][c:42]([Cl:44])[cH:41]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)[CH2:31][CH3:32])=[O:33]참가 물질
3
출처 및 근거
- ORD 기록
- ord-76a61a10fee041d8afde4df4de13afd0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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