Ethanol → HCID 86620614, 화합물
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[CH3:12][c:13]1[cH:14][c:15]([NH2:18])[n:16][nH:17]1.[CH3:28][CH2:29][OH:30].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:11])[c:8]([Cl:10])[n:9]1>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:11])[c:8]([NH:18][c:15]2[cH:14][c:13]([CH3:12])[nH:17][n:16]2)[n:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-8038dd0760054395ab013006be7aff48
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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