Hexanal → Methyl 2-fluoro-5-(hexyl[4-(phenylethynyl)benzyl]amino}benzoate
반응식
[CH:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:34].[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([NH:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[C:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:18][cH:19]2)[cH:10][cH:11]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([N:12]([CH2:13][c:14]2[cH:15][cH:16][c:17]([C:20]#[C:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:18][cH:19]2)[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[cH:10][cH:11]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-5fb4befd09314137b4ac0d0aba148c5b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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