Benzene → 5-chloro-3-methylthio-5H-dibenzo[a,d]cycloheptene
반응식
[CH3:5][S:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:22]1)[CH:12]([OH:21])[c:13]1[c:14]([cH:17][cH:18][cH:19][cH:20]1)[CH:15]=[CH:16]2.[S:1]([Cl:2])([Cl:3])=[O:4].[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:3][CH:12]1[c:11]2[c:10]([cH:9][cH:8][c:7]([S:6][CH3:5])[cH:22]2)[CH:16]=[CH:15][c:14]2[c:13]1[cH:20][cH:19][cH:18][cH:17]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-30f05ae028774d7f9e2ac52e9cd07868
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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