Acetone → HCID 76578472, 화합물
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[CH3:33][C:34]([CH3:35])=[O:36].[CH3:37][OH:38].[CH:1]12[N:2]([c:8]3[cH:9][c:10](-[c:18]4[cH:19][c:20]([NH:24][CH:25]([CH3:26])[c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[n:21][cH:22][cH:23]4)[n:11][c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]34)[CH2:3][CH:4]([NH:5][CH2:6]1)[CH2:7]2.[CH:39]([Cl:40])([Cl:41])[Cl:42].[Cl:43][CH2:44][Cl:45]>>[CH:1]12[N:2]([c:8]3[cH:9][c:10](-[c:18]4[cH:19][c:20]([NH:24][CH:25]([CH3:26])[c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[n:21][cH:22][cH:23]4)[n:11][c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]34)[CH2:3][CH:4]([N:5]([CH:34]([CH3:33])[CH3:35])[CH2:6]1)[CH2:7]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-851bee564c884d289aebe7807dd30f6b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)