Dichloromethane → [3-(1,1-Dimethyl-2-oxo-ethyl)-isoxazol-5-yl]-carbamic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([C:13]([CH2:14][OH:15])([CH3:16])[CH3:17])[n:11][o:12]1)=[O:18].[Cl:19][CH2:20][Cl:21]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([C:13]([CH:14]=[O:15])([CH3:16])[CH3:17])[n:11][o:12]1)=[O:18]참가 물질
3
출처 및 근거
- ORD 기록
- ord-35af37446c78445d8e70c4053dcbbb1b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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