Water → 3-(4-Chlorophenyl)-2,1-benzisoxazole-7-acetonitrile
반응식
[CH2:29]([Cl:30])[Cl:31].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][c:16]3[CH2:17][Br:18])[cH:6][cH:7]1.[K:19][C:20]#[N:21].[O:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1.[OH2:28]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][c:16]3[CH2:17][C:20]#[N:21])[cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-988a8fffc7554b45a92ee612c95016dd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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