Water → HCID 136381453, 화합물
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[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH:9]=[CH:10][CH:11]1[O:12][CH:13]([n:21]2[c:22]3[n:23][c:24]([NH:31][C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[nH:25][c:26](=[O:30])[c:27]3[n:28][cH:29]2)[CH:14]2[O:15][C:16]([CH3:19])([CH3:20])[O:17][CH:18]12.[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43].[OH2:44]>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH:9]=[CH:10][CH:11]1[O:12][CH:13]([n:21]2[c:22]3[n:23][c:24]([NH:31][C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[nH:25][c:26](=[O:30])[c:27]3[n:28][cH:29]2)[CH:14]([OH:15])[CH:18]1[OH:17]참가 물질
4
출처 및 근거
- ORD 기록
- ord-6c492f59dbee4c3e8a7a59770157e431
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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