Acetic Acid → HCID 19788098, 화합물
반응식
[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][Cl:18])[cH:19][cH:20]1.[CH3:21][C:22](=[O:23])[OH:24].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[H-:9].[Na+:10].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[OH2:35].[OH:1][c:2]1[cH:3][cH:4][c:5]([SH:8])[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH2:17][c:16]2[cH:15][cH:14][c:13]([O:12][CH3:11])[cH:20][cH:19]2)[cH:6][cH:7]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-83deb655e3e84630be2b489429a37ccb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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