Water → 2,4,7-trimethyl-1H-indene
반응식
[CH3:1][CH:2]1[CH:3]([OH:13])[c:4]2[c:5]([CH3:12])[cH:6][cH:7][c:8]([CH3:11])[c:9]2[CH2:10]1.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH2:14].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1>>[CH3:1][C:2]1=[CH:3][c:4]2[c:5]([CH3:12])[cH:6][cH:7][c:8]([CH3:11])[c:9]2[CH2:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-df9a99018eef494f9f953ad435daeca7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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