Ethanol → HCID 20161751, 화합물
반응식
[CH3:30][CH2:31][OH:32].[CH3:9][C:10]([C:11]#[N:12])([CH3:13])[c:14]1[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([Br:20])[cH:18][cH:19]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([SH:8])[cH:6][cH:7]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][c:17]2[c:16]([N+:21](=[O:22])[O-:23])[cH:15][c:14]([C:10]([CH3:9])([C:11]#[N:12])[CH3:13])[cH:19][cH:18]2)[cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-94ba11820bb64901b8c5b3a79b12a2cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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