Bicarbonate Ion → 1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]2-hydroxy-5-methoxyphenyl]ethanone
반응식
[CH3:39][C:40]#[N:41].[Cl:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][c:24]([OH:33])[c:25]([C:30]([CH3:31])=[O:32])[cH:26][c:27]1[O:28][CH3:29].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1.[Na+:38].[O-:34][C:35]([OH:36])=[O:37]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:18][CH2:19][CH2:20][O:21][c:22]4[cH:23][c:24]([OH:33])[c:25]([C:30]([CH3:31])=[O:32])[cH:26][c:27]4[O:28][CH3:29])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-78380e760e6f45fb83830c411713f64b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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