Toluene → 1-Allyl-3-[3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionyl]-urea
반응식
[CH2:19]([CH:20]=[CH2:21])[N:22]=[C:23]=[O:24].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH2:10])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][C:23]([NH:22][CH2:19][CH:20]=[CH2:21])=[O:24])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-bc5ede4af82043af97fc0b724d368fbb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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