Isopropanol → Ethyl 2-carbamothioyl-2,2-dimethylacetate
반응식
[CH2:17]([CH3:18])[O:19][C:20]([C:21]([CH3:22])([CH3:23])[C:24]#[N:25])=[O:26].[CH:27]([OH:28])([CH3:29])[CH3:30].[c:1]1([S:7][P:2]([c:3]2[cH:4][cH:5][cH:6][cH:8][cH:9]2)(=[S:10])[OH:11])[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[S:7]=[C:24]([C:21]([C:20]([O:19][CH2:17][CH3:18])=[O:26])([CH3:22])[CH3:23])[NH2:25]참가 물질
4
출처 및 근거
- ORD 기록
- ord-8aed8702d90241bb98dcc5f5aa3b2f3a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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