2,2-Dioxo-6-(1,1-dimethylethyl)-8-iodo-1,2,3-benzoxathiazine → 2,2-Dioxo-3,4-dihydro-6-(1,1-dimethylethyl)-8-bromo-1,2,3-benzoxathiazine
반응식
[O:18]=[S:19]1(=[O:34])[O:20][c:21]2[c:22]([cH:25][c:26]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:27][c:28]2[Br:29])[CH:23]=[N:24]1.[O:1]=[S:2]1(=[O:3])[N:4]=[CH:5][c:6]2[cH:7][c:8]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][c:14]([I:15])[c:16]2[O:17]1>>[O:18]=[S:19]1(=[O:34])[O:20][c:21]2[c:22]([cH:25][c:26]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:27][c:28]2[Br:29])[CH2:23][NH:24]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-c727aa822fb045c5902659da61272cf9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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