Citric Acid → HCID 69489781, 화합물
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[Br:34][CH2:35][CH2:36][O:37][Si:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[CH3:44].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15](=[O:16])[c:17]2[cH:18][c:19]3[c:20]([s:21]2)[cH:22][cH:23][c:24]([OH:26])[cH:25]3)[cH:10][cH:11][cH:12][cH:13]1)=[O:27].[C:28](=[O:29])([O-:30])[O-:31].[CH3:58][C:59]#[N:60].[K+:32].[K+:33].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15](=[O:16])[c:17]2[cH:18][c:19]3[c:20]([s:21]2)[cH:22][cH:23][c:24]([O:26][CH2:35][CH2:36][O:37][Si:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[CH3:44])[cH:25]3)[cH:10][cH:11][cH:12][cH:13]1)=[O:27]참가 물질
7
출처 및 근거
- ORD 기록
- ord-1735ab5e76764d23be90274f14d5efb2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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