Methanol → 3-{3-[(Benzo[1,3]dioxol-5-ylmethyl)sulfamoyl]-phenyl}-acrylic acid
반응식
[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]([S:12]([NH:13][CH2:14][c:15]2[cH:16][c:17]3[c:18]([cH:22][cH:23]2)[O:19][CH2:20][O:21]3)(=[O:24])=[O:25])[cH:9][cH:10][cH:11]1)=[O:26].[CH3:27][OH:28]>>[O:2]=[C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]([S:12]([NH:13][CH2:14][c:15]2[cH:16][c:17]3[c:18]([cH:22][cH:23]2)[O:19][CH2:20][O:21]3)(=[O:24])=[O:25])[cH:9][cH:10][cH:11]1)[OH:26]참가 물질
3
출처 및 근거
- ORD 기록
- ord-bdf8f4be8a1b4321a67e68a9e6a20a06
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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