Toluene → Ethyl 2-acetylamino-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionate
반응식
[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([C:11]([O-:12])=[O:13])[CH2:14][c:15]1[cH:16][c:17]2[c:22]([cH:23][cH:24]1)[CH2:21][CH2:20][CH2:19][CH2:18]2.[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:14][c:15]1[cH:16][c:17]2[c:22]([cH:23][cH:24]1)[CH2:21][CH2:20][CH2:19][CH2:18]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-4f1912ffee8a40f0b74c83220b51c3c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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