2-Butanamine, 3,3-dimethyl- → 2-(4-Chlorophenylsulfonyl)-3-(3,5-dichlorophenylamino)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile
반응식
[CH3:26][CH:27]([C:28]([CH3:29])([CH3:30])[CH3:31])[NH2:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]([C:12]#[N:13])=[C:14]([S:15][CH3:16])[NH:17][c:18]2[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]([C:12]#[N:13])=[C:14]([NH:17][c:18]2[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]2)[NH:32][CH:27]([CH3:26])[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-2a0bd60cddaa498aa0ec9251206ee091
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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