Calcium Cation → Pendimethalin
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[CH2:20]([CH3:21])[CH:22]([CH2:23][CH3:24])[NH2:25].[Ca+2:18].[Cl-:17].[Cl-:19].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:15][CH3:16])[c:6]([N+:12](=[O:13])[O-:14])[cH:7][c:8]([CH3:11])[c:9]1[CH3:10]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:25][CH:22]([CH2:20][CH3:21])[CH2:23][CH3:24])[c:6]([N+:12](=[O:13])[O-:14])[cH:7][c:8]([CH3:11])[c:9]1[CH3:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-8fb4192f64a943c089a8ead5c062af63
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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