Toluene → HCID 66808327, 화합물
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[CH3:13][O:14][CH:15]([N:16]([CH3:17])[CH3:18])[O:19][CH3:20].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[NH2:1][c:2]1[n:3][c:4]([CH3:12])[c:5]([C:10]#[N:11])[cH:6][c:7]1[C:8]#[N:9]>>[N:1]([c:2]1[n:3][c:4]([CH3:12])[c:5]([C:10]#[N:11])[cH:6][c:7]1[C:8]#[N:9])=[CH:15][N:16]([CH3:17])[CH3:18]참가 물질
4
출처 및 근거
- ORD 기록
- ord-2166cdb2792849b18c548fff0866078a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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