Acetic Acid → HCID 13067111, 화합물
반응식
[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[cH:3][c:4]([C:16]([c:17]2[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]2)=[O:24])[c:5](-[c:8]2[c:9]([C:14]#[N:15])[cH:10][nH:11][c:12]2[CH3:13])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)-[c:8]1[c:9]([cH:10][nH:11][c:12]1[CH3:13])[CH2:14][N:15]=[C:16]2[c:17]1[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-bc02e88bf9a840889d25d8100b6c0a3b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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