Bromide ion → 9-(p-Methylthiophenoxy)-1,4,7-nonatriyne
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[Br-:1].[Br:18][CH2:19][C:20]#[C:21][CH2:22][C:23]#[CH:24].[C-:16]#[N:17].[CH2:2]([Mg+:3])[CH3:4].[CH3:5][c:6]1[cH:7][cH:8][c:9]([S:10][CH2:11][C:12]#[CH:13])[cH:14][cH:15]1.[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[CH3:5][c:6]1[cH:7][cH:8][c:9]([S:10][CH2:11][C:12]#[C:13][CH2:19][C:20]#[C:21][CH2:22][C:23]#[CH:24])[cH:14][cH:15]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-20f8f9c87dcc4802868e1f14bddf5e52
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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