Ethanol → 6-chloro-7-methyl-3,4-dihydroquinoxalin-2(1H)-one
반응식
[CH3:22][CH2:23][OH:24].[Cl:1][c:2]1[c:3]([CH3:16])[cH:4][c:5]([N+:13]([O-:12])=[O:14])[c:6]([NH:8][CH2:9][C:10](=[O:11])[OH:15])[cH:7]1.[OH2:17].[OH2:18].[Sn:19]([Cl:20])[Cl:21]>>[Cl:1][c:2]1[c:3]([CH3:16])[cH:4][c:5]2[c:6]([cH:7]1)[NH:8][CH2:9][C:10](=[O:11])[NH:13]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-ea16c63b3ed4498ab62273119fb3fc2c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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