Acetic Acid → HCID 178515474, 화합물
반응식
[BrH:22].[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[n:7][c:8]([OH:17])[c:9]3[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][c:14]23)[cH:18][cH:19][c:20]1[Cl:21].[Na+:25].[OH-:24].[OH2:23]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[n:7][c:8]([OH:17])[c:9]3[cH:10][c:11]([OH:15])[cH:12][cH:13][c:14]23)[cH:18][cH:19][c:20]1[Cl:21]참가 물질
7
출처 및 근거
- ORD 기록
- ord-ff72cc54e11949fba4815887c4ab3674
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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