Benzene → 2-Methyl-4-(cinnamoylmethylidene)but-2-enolide
반응식
[C:9]([CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)(=[O:18])[CH:19]=[P:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:1][C:2]1=[CH:7][C:6](=[O:8])[O:5][C:3]1=[O:4].[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:1][C:2]1=[CH:7][C:6](=[CH:19][C:9]([CH:10]=[CH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[O:5][C:3]1=[O:4]참가 물질
4
출처 및 근거
- ORD 기록
- ord-fb3074b748384d428eeeb526d222781b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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