Benzenemethanamine, 3,4-dichloro- → 3-tert-Butylamino-4-(3,4-dichlorobenzylamino)-cyclobut-3-ene-1,2-dione
반응식
[CH2:1]([O:2][c:6]1[c:7](=[O:16])[c:8](=[O:15])[c:9]1[NH:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:3][CH2:4][CH3:5].[Cl:17][c:18]1[cH:19][c:20]([CH2:21][NH2:22])[cH:23][cH:24][c:25]1[Cl:26].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[c:6]1([NH:22][CH2:21][c:20]2[cH:19][c:18]([Cl:17])[c:25]([Cl:26])[cH:24][cH:23]2)[c:7](=[O:16])[c:8](=[O:15])[c:9]1[NH:10][C:11]([CH3:12])([CH3:13])[CH3:14]참가 물질
4
출처 및 근거
- ORD 기록
- ord-9ac284129e424bcc9062af4d4ca259e6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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