4-((5,6,7,8-Tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoic acid → 4-[(5-Acetoxy-7,8-dihydro-8,8-dimethylnaphth-2-yl)ethynyl]benzoic acid
반응식
[C:1]([CH3:2])(=[O:3])[O:4][C:5]1=[CH:14][CH2:13][C:12]([CH3:15])([CH3:16])[c:11]2[c:6]1[cH:7][cH:8][c:9]([C:17]#[C:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]1)[cH:10]2.[CH3:30][C:31]1([CH3:32])[c:33]2[cH:34][c:35]([C:36]#[C:37][c:38]3[cH:39][cH:40][c:41]([C:42]([OH:43])=[O:44])[cH:45][cH:46]3)[cH:47][cH:48][c:49]2[C:50](=[O:51])[CH2:52][CH2:53]1>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1=[CH:14][CH2:13][C:12]([CH3:15])([CH3:16])[c:11]2[c:6]1[cH:7][cH:8][c:9]([C:17]#[C:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:28][cH:29]1)[cH:10]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-df25803d45f54be9bebc24b6f655bf23
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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