Acetic Acid → HCID 178427280, 화합물
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[BrH:28].[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([C:20]([F:21])([F:22])[F:23])[c:8]([CH2:11][S:12][C:13]2=[N:14][O:15][C:16]([CH3:18])([CH3:19])[CH2:17]2)[c:9]1[Cl:10].[C:24]([OH:25])(=[O:26])[CH3:27].[OH2:29]>>[nH:5]1[n:6][c:7]([C:20]([F:21])([F:22])[F:23])[c:8]([CH2:11][S:12][C:13]2=[N:14][O:15][C:16]([CH3:18])([CH3:19])[CH2:17]2)[c:9]1[Cl:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-e0109bfae4764ce4931acdb46a635230
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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