Hydrochloric Acid → 4-[5-(5,6-difluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzoic acid
반응식
[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][OH:36].[ClH:39].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[C:16]([CH3:18])([CH3:19])[O:17]1.[Na+:38].[OH-:37].[OH2:40]>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:28][cH:29]2)[C:16]([CH3:18])([CH3:19])[O:17]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-feb2885c697d4881bef05e35afaf980c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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