Isopropanol → HCID 11526341, 화합물
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[CH3:1][c:2]1[c:3]([O:9][C:10]([N:11]([c:12]2[n:13][c:14]([Cl:18])[n:15][cH:16][cH:17]2)[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[O:26])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:27][N:28]([CH2:29][CH2:30][O:31][c:32]1[cH:33][cH:34][c:35]([NH2:38])[cH:36][cH:37]1)[CH3:39].[CH:47]([OH:48])([CH3:49])[CH3:50].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[CH3:1][c:2]1[c:3]([O:9][C:10]([N:11]([c:12]2[n:13][c:14]([NH:38][c:35]3[cH:34][cH:33][c:32]([O:31][CH2:30][CH2:29][N:28]([CH3:27])[CH3:39])[cH:37][cH:36]3)[n:15][cH:16][cH:17]2)[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[O:26])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-ac1c7df5a87f40d09be732a4d68434d1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)