Water → 3-Methylindene
반응식
[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:12].[OH2:24].[OH:1][C:2]1([CH3:11])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18]([OH:19])(=[O:20])=[O:21])[cH:22][cH:23]1>>[C:2]1([CH3:11])=[CH:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21참가 물질
5
출처 및 근거
- ORD 기록
- ord-8fb02f9f28934c7dba3b4b42c4800c53
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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