Acetic Acid → HCID 136367419, 화합물
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[BrH:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([c:15]([NH2:19])[n:16][c:17]2[cH:18]1)[n:20][c:21]([CH2:23][CH2:24][CH3:25])[s:22]3.[CH3:29][C:30](=[O:31])[OH:32].[Na+:28].[OH-:27]>>[OH:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([c:15]([NH2:19])[n:16][c:17]2[cH:18]1)[n:20][c:21]([CH2:23][CH2:24][CH3:25])[s:22]3참가 물질
6
출처 및 근거
- ORD 기록
- ord-a9c5a6d375624619b34500784bce9ed7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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