Toluene → 2-Isocyanato-5-thiomorpholin-4-yl-4-trifluoromethyl-benzoic acid methyl ester
반응식
[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:20])[cH:6][c:7]([C:16]([F:17])([F:18])[F:19])[c:8]([N:10]2[CH2:11][CH2:12][S:13][CH2:14][CH2:15]2)[cH:9]1)=[O:21].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl:22][C:23]([Cl:24])=[O:25]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N:20]=[C:23]=[O:25])[cH:6][c:7]([C:16]([F:17])([F:18])[F:19])[c:8]([N:10]2[CH2:11][CH2:12][S:13][CH2:14][CH2:15]2)[cH:9]1)=[O:21]참가 물질
4
출처 및 근거
- ORD 기록
- ord-880a8fff289a432492cd4650e8dea9a7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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