Acetic Acid → HCID 10175290, 화합물
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[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:21]1[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]1)[NH:29][C:30](=[O:31])[O:32][CH2:33][CH2:34][NH:35][c:36]1[n:37][c:38]([CH3:42])[cH:39][cH:40][cH:41]1.[CH3:43][CH2:44][OH:45].[CH3:48][C:49](=[O:50])[OH:51].[Na+:47].[OH-:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([C:11](=[O:12])[NH:13][CH:14]([CH2:15][C:16](=[O:17])[OH:18])[c:21]1[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]1)[NH:29][C:30](=[O:31])[O:32][CH2:33][CH2:34][NH:35][c:36]1[n:37][c:38]([CH3:42])[cH:39][cH:40][cH:41]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-4fe58a2f120c40be865999e835f673d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)