Benzene → 4,4-Dimethyl-1-(phenylsulfonyl)-2-(adamantan-2-yl)-1,2-diazetidin-3-one
반응식
[CH:1]12[CH:2]([N:11]3[NH:12][C:13]([CH3:16])([CH3:17])[C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[S:18](=[O:19])(=[O:20])([Cl:21])[Cl:22].[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH:1]12[CH:2]([N:11]3[N:12]([S:18](=[O:19])(=[O:20])[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[C:13]([CH3:16])([CH3:17])[C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-15e76d61cca745e89aa9e3fbfcf4f4d0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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