Sodium Ion → N-methanesulfonyl-6-cyanomethylindole
반응식
[C-:17]#[N:18].[CH3:1][S:2](=[O:3])(=[O:4])[n:5]1[cH:6][cH:7][c:8]2[cH:9][cH:10][c:11]([CH2:14][Br:15])[cH:12][c:13]12.[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Na+:19].[O:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[OH2:16]>>[CH3:1][S:2](=[O:3])(=[O:4])[n:5]1[cH:6][cH:7][c:8]2[cH:9][cH:10][c:11]([CH2:14][C:17]#[N:18])[cH:12][c:13]12참가 물질
7
출처 및 근거
- ORD 기록
- ord-564d59e457864504b624adca92ce0dbf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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