Acetic Acid → HCID 68468856, 화합물
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[C:27]([OH:28])(=[O:29])[CH3:30].[Cl:1][c:2]1[c:3]([NH2:22])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[c:12]3[c:13]([cH:18][cH:19][cH:20][cH:21]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1.[Cl:31][CH2:32][Cl:33].[NH2:23][C:24]([NH2:25])=[O:26]>>[Cl:1][c:2]1[c:3]([NH:22][C:24]([NH2:23])=[O:26])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[c:12]3[c:13]([cH:18][cH:19][cH:20][cH:21]3)[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-472b253dc5b94526b0c553910c145618
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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