Ethanol → 5-amino-2-tert-butyl-1-(2-hydroxyethyl)-1H-indole-4-carbonitrile
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6]([CH2:19][CH2:20][OH:21])[c:7]2[cH:8][cH:9][c:10]([N+:16]([O-:17])=[O:18])[c:11]([C:14]#[N:15])[c:12]2[cH:13]1.[CH3:22][CH2:23][OH:24]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6]([CH2:19][CH2:20][OH:21])[c:7]2[cH:8][cH:9][c:10]([NH2:16])[c:11]([C:14]#[N:15])[c:12]2[cH:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d0f58640059248c89cde3f51ca38c0ae
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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