Ammonium → 2,3-Diamino-6-(3-trifluoromethyl-piperidin-1-yl)benzonitrile
반응식
[CH3:25][CH2:26][OH:27].[Cl-:23].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([N:13]2[CH2:14][CH:15]([C:19]([F:20])([F:21])[F:22])[CH2:16][CH2:17][CH2:18]2)[cH:7][cH:8][c:9]1[N+:10]([O-:11])=[O:12].[NH4+:24]>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([N:13]2[CH2:14][CH:15]([C:19]([F:20])([F:21])[F:22])[CH2:16][CH2:17][CH2:18]2)[cH:7][cH:8][c:9]1[NH2:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-055b42c3787847ddb005438c818015b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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