5-chlorobenzo[d]isoxazol-3-ol → HCID 178431192, 화합물
반응식
[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]([c:5]3[cH:6][c:7]([C:12]#[N:13])[cH:8][cH:9][c:10]3[O:11]1)[O:14]2.[Cl:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([c:22](=[O:25])[nH:23][o:24]2)[cH:26]1>>[CH3:1][C:2]1([CH3:15])[CH:3]([OH:14])[CH:4]([O:25][c:22]2[c:21]3[c:20]([cH:19][cH:18][c:17]([Cl:16])[cH:26]3)[o:24][n:23]2)[c:5]2[cH:6][c:7]([C:12]#[N:13])[cH:8][cH:9][c:10]2[O:11]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-29e4a6b8f0a9493297dd8b8f421b00e2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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