4-[(4-Fluorophenyl)ethynyl]benzoic acid → N-[(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)methyl]-4-[(4-fluorophenyl)ethynyl]-N-hexylbenzamide
반응식
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[NH:7][CH2:8][c:9]1[cH:10][c:11]2[c:12]([cH:20][cH:21]1)[O:13][C:14]([CH3:18])([CH3:19])[O:15][C:16]2=[O:17].[F:22][c:23]1[cH:24][cH:25][c:26]([C:29]#[C:30][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[cH:27][cH:28]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]([CH2:8][c:9]1[cH:10][c:11]2[c:12]([cH:20][cH:21]1)[O:13][C:14]([CH3:18])([CH3:19])[O:15][C:16]2=[O:17])[C:35]([c:34]1[cH:33][cH:32][c:31]([C:30]#[C:29][c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]2)[cH:39][cH:38]1)=[O:37]참가 물질
3
출처 및 근거
- ORD 기록
- ord-2b4e648ebd0f4db5b36e80ae2b54c711
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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