Sodium Ion → methyl 3-(5-cyano-1H-indol-3-yl)propanoate
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[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6]([O:7][CH3:8])=[O:9])[CH2:10][c:11]1[cH:12][nH:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][c:19]12.[CH:30]([Cl:31])([Cl:32])[Cl:33].[I-:23].[Na+:22].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:10][c:11]1[cH:12][nH:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][c:19]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-647ca00a188d45f0882f16513d4cdbb7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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