Hydrochloric Acid → 6-Fluoro-3-(1-cyanomethyl-4-piperidyl)-1,2-benzisoxazole
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[C:18](=[O:19])([O-:20])[O-:21].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Cl:26][CH2:27][C:28]#[N:29].[ClH:1].[F:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([CH:10]3[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[n:8][o:9]2)[cH:16][cH:17]1.[I-:25].[K+:22].[K+:23].[K+:24].[OH2:30]>>[F:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([CH:10]3[CH2:11][CH2:12][N:13]([CH2:27][C:28]#[N:29])[CH2:14][CH2:15]3)[n:8][o:9]2)[cH:16][cH:17]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-37167ecc416843c797078b34076276bf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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