Thiophenol → 8-(4-Phenylmercapto-butoxy)-4,4-dimethyl-4H-3,1-benzoxazin-2-one
반응식
[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[c:16]1[NH:15][C:14](=[O:17])[O:13][C:12]2([CH3:18])[CH3:19].[SH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[c:16]1[NH:15][C:14](=[O:17])[O:13][C:12]2([CH3:18])[CH3:19])[S:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-bba7f1158e6b44e6a97224c49d8330fc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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