Acetaldehyde → 4-[Ethyl-(5,8,8-trimethyl-7,8-dihydro-naphthalen-2-yl)-amino]-benzoic acid ethyl ester
반응식
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[cH:13][c:14]3[c:19]([cH:20][cH:21]2)[C:18]([CH3:22])=[CH:17][CH2:16][C:15]3([CH3:23])[CH3:24])[cH:9][cH:10]1)=[O:25].[CH:26]([CH3:27])=[O:28]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([N:11]([c:12]2[cH:13][c:14]3[c:19]([cH:20][cH:21]2)[C:18]([CH3:22])=[CH:17][CH2:16][C:15]3([CH3:23])[CH3:24])[CH2:26][CH3:27])[cH:9][cH:10]1)=[O:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-0abbed67c00843bdbcbbe16be0533d2e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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