Acetone → HCID 178480716, 화합물
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[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:34][N:35]1[CH2:36][CH2:37][N:38]([c:41]2[cH:42][cH:43][c:44]([NH2:47])[cH:45][cH:46]2)[CH2:39][CH2:40]1.[CH3:48][C:49](=[O:50])[CH3:51].[OH:1][CH:2]=[C:3]1[C:4](=[O:33])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[c:24]([C:29]([F:30])([F:31])[F:32])[n:25][n:26]([CH3:28])[cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21>>[CH:2](=[C:3]1[C:4](=[O:33])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[c:24]([C:29]([F:30])([F:31])[F:32])[n:25][n:26]([CH3:28])[cH:27]4)[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:47][c:44]1[cH:43][cH:42][c:41]([N:38]2[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]2)[cH:46][cH:45]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-6d23c9be7c384aeab894a8f351c03f27
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)