Ethanol → N-(5-amino-2-chloro-4-fluorophenyl)-N-[(chloromethyl)sulfonyl]acetamide
반응식
[CH3:21][CH2:22][OH:23].[Cl:1][c:2]1[c:3]([N:12]([C:13]([CH3:14])=[O:15])[S:16](=[O:17])(=[O:18])[CH2:19][Cl:20])[cH:4][c:5]([N+:9]([O-:10])=[O:11])[c:6]([F:8])[cH:7]1.[Ir:24]>>[Cl:1][c:2]1[c:3]([N:12]([C:13]([CH3:14])=[O:15])[S:16](=[O:17])(=[O:18])[CH2:19][Cl:20])[cH:4][c:5]([NH2:9])[c:6]([F:8])[cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-85a6366a6321446899bba3f72d2a2608
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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