Water → HCID 15908138, 화합물
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[C:15]([CH3:16])([CH3:17])([CH3:18])[NH2:19].[Cl:1][c:2]1[n:3][c:4]([Cl:14])[c:5]2[c:6]([n:7]1)[c:8]([CH2:11][CH2:12][CH3:13])[cH:9][s:10]2.[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[OH2:20]>>[Cl:1][c:2]1[n:3][c:4]([NH:19][C:15]([CH3:16])([CH3:17])[CH3:18])[c:5]2[c:6]([n:7]1)[c:8]([CH2:11][CH2:12][CH3:13])[cH:9][s:10]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-bbccdbc69ae3406795c98bdf5b891a5a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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