Methane → 5-Acetoxy-2-(4-aminophenoxymethyl)-4,6-di-t-butyl-2-methyl-2,3-dihydrobenzofuran
반응식
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:7][c:8]2[c:9]([c:25]1[C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:10][C:11]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([N+:21]([O-:22])=[O:23])[cH:19][cH:20]1)([CH3:24])[O:12]2.[C:40].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Pd:41]>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:7][c:8]2[c:9]([c:25]1[C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:10][C:11]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]1)([CH3:24])[O:12]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-c106e447f61448c29ba2addf8bc12843
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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