1-(2-Diethylaminoethyl)-4-trifluoromethyl-6-iodo-3-hydroxy-3-(2-chlorophenyl)oxindole → (+)-1-(2-Diethylaminoethyl)-4-trifluoromethyl-6-(3-methanesulfonylamino-1-propynyl)-3-hydroxy-3-(2-chlorophenyl)oxindole
반응식
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:28])[C:8]([c:20]2[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]2)([OH:27])[c:9]2[c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]([I:15])[cH:13][c:14]21)[CH2:29][CH3:30].[CH3:31][S:32](=[O:33])(=[O:34])[NH:35][CH2:36][C:37]#[CH:38]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][N:6]1[C:7](=[O:28])[C:8]([c:20]2[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]2)([OH:27])[c:9]2[c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]([C:38]#[C:37][CH2:36][NH:35][S:32]([CH3:31])(=[O:33])=[O:34])[cH:13][c:14]21)[CH2:29][CH3:30]참가 물질
3
출처 및 근거
- ORD 기록
- ord-047ffa73cfc0433086afbe8667ee6ce5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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