O-Xylene → 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-phenoxybut-3-en-2-one
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[O:9])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13].[O:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][C:26]([CH:27]=[P:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[c:48]1([CH3:49])[c:50]([CH3:51])[cH:52][cH:53][cH:54][cH:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[CH:27][C:26]([CH2:25][O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:47])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13]참가 물질
4
출처 및 근거
- ORD 기록
- ord-f01c560f345241f2a0f0753d200d226c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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