Water → 5-Bromo-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
반응식
[Br:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[CH3:12][C:13]1([CH3:25])[O:14][c:15]2[c:16]([c:18]([CH3:24])[cH:19][c:20]([CH3:23])[c:21]2[CH3:22])[CH2:17]1.[CH3:9][C:10]#[N:11].[OH2:26]>>[Br:1][c:19]1[c:18]([CH3:24])[c:16]2[c:15]([c:21]([CH3:22])[c:20]1[CH3:23])[O:14][C:13]([CH3:12])([CH3:25])[CH2:17]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-b0f2fed0d18e4035b9e5981c92854926
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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