Water → 3-(1-Chloroethyl)-5-t-butylisoxazole
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:10]([CH3:11])[OH:12])[n:8][o:9]1.[OH2:24].[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18](=[O:19])(=[O:20])[Cl:22])[cH:21][cH:23]1.[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:10]([CH3:11])[Cl:22])[n:8][o:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-fb1fe3702fb94c38a40f2deb23e81cd6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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