Sodium Ion → 6-(Methylthio)-2-oxo-benz[cd]indole-1(2H)-butanenitrile
반응식
[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]#[N:24].[CH3:1][S:2][c:3]1[c:4]2[c:5]3[c:6]([cH:13][cH:14][cH:15]2)[C:7](=[O:12])[NH:8][c:9]3[cH:10][cH:11]1.[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[H-:16].[Na+:17]>>[CH3:1][S:2][c:3]1[c:4]2[c:5]3[c:6]([cH:13][cH:14][cH:15]2)[C:7](=[O:12])[N:8]([CH2:20][CH2:21][CH2:22][C:23]#[N:24])[c:9]3[cH:10][cH:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-e312dd4e3208466d877da104b3b1ea05
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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