Water → 6-[3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]hex-5-ynoic acid
반응식
[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][C:7]#[C:8][c:9]1[c:10]2[c:14]([cH:15][cH:16][cH:17]1)[NH:13][C:12](=[O:18])[C:11]2=[CH:19][c:20]1[nH:21][cH:22][cH:23][c:24]1[O:25][CH3:26])=[O:27].[OH2:33]>>[O:2]=[C:3]([CH2:4][CH2:5][CH2:6][C:7]#[C:8][c:9]1[c:10]2[c:14]([cH:15][cH:16][cH:17]1)[NH:13][C:12](=[O:18])[C:11]2=[CH:19][c:20]1[nH:21][cH:22][cH:23][c:24]1[O:25][CH3:26])[OH:27]참가 물질
4
출처 및 근거
- ORD 기록
- ord-ff38edb12dcb4b42b2425842478ca7b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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