Toluene → 2-Chloro-4-fluoro-5-(1-hexahydropyridazinyl-thiocarbonylamino)-thiolbenzoic acid (methoxycarbonylmethyl) ester
반응식
[CH3:1][O:2][C:3](=[O:4])[CH2:5][O:6][C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][c:13]1[C:14]1([Cl:23])[S:15][C:16]([N:20]=[C:21]=[S:22])=[C:17]([F:19])[CH2:18]1)=[O:24].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[NH:25]1[NH:26][CH2:27][CH2:28][CH2:29][CH2:30]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][O:6][C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][c:13]1[C:14]1([Cl:23])[S:15][C:16]([NH:20][C:21](=[S:22])[N:25]2[NH:26][CH2:27][CH2:28][CH2:29][CH2:30]2)=[C:17]([F:19])[CH2:18]1)=[O:24]참가 물질
4
출처 및 근거
- ORD 기록
- ord-3dccd57cec404c63906c7cc548c82f34
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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