3,4-Xylenethiol → 8-[4-(3,4-Dimethyl-phenylmercapto)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one
반응식
[CH3:20][c:21]1[cH:22][c:23]([SH:28])[cH:24][cH:25][c:26]1[CH3:27].[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]>>[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:28][c:23]1[cH:22][c:21]([CH3:20])[c:26]([CH3:27])[cH:25][cH:24]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-f2e7b739835d45b8b8254e6768060425
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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