3,4-Dichlorotoluene-alpha-thiol → 17-[(3,4-dichlorophenyl)methylsulfanyl]-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
반응식
[CH3:11][S:12]([O:13][CH:16]1[C:17]2([CH3:18])[CH:19]([CH2:20][CH2:21]1)[CH:22]1[CH2:23][CH2:24][C:25]3=[CH:26][C:27](=[O:36])[CH:28]=[CH:29][C:30]3([CH3:31])[CH:32]1[C:33](=[O:35])[CH2:34]2)(=[O:14])=[O:15].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][SH:6])[cH:7][cH:8][c:9]1[Cl:10]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][S:6][CH:16]2[C:17]3([CH3:18])[CH:19]([CH2:20][CH2:21]2)[CH:22]2[CH2:23][CH2:24][C:25]4=[CH:26][C:27](=[O:36])[CH:28]=[CH:29][C:30]4([CH3:31])[CH:32]2[C:33](=[O:35])[CH2:34]3)[cH:7][cH:8][c:9]1[Cl:10]참가 물질
3
출처 및 근거
- ORD 기록
- ord-04333c17cc944ccbb027d7681619c018
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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