Acetic Acid → HCID 178518729, 화합물
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[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([OH:36])[CH2:24][CH:25]([n:27]2[c:28](=[O:29])[nH:30][c:31](=[O:32])[c:33]([F:35])[cH:34]2)[O:26]1.[CH3:56][C:57](=[O:58])[OH:59].[Cl:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[I-:48].[K+:46].[Na+:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH-:45].[OH2:55]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([O:36][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:24][CH:25]([n:27]2[c:28](=[O:29])[nH:30][c:31](=[O:32])[c:33]([F:35])[cH:34]2)[O:26]1참가 물질
10
출처 및 근거
- ORD 기록
- ord-74a8dbac65774b199410d69c8edd6ee9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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