Butyl Lactate → Butyl 2-[3-(4-{[benzyl(2-methyl-3-nitrophenyl)amino]methyl}phenoxy)phenoxy]propanoate
반응식
[C:34]([CH:35]([OH:36])[CH3:37])(=[O:38])[O:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:18])[c:11]([N+:15](=[O:16])[O-:17])[cH:12][cH:13][cH:14]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:24][c:25]2[cH:26][c:27]([OH:31])[cH:28][cH:29][cH:30]2)[cH:32][cH:33]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:18])[c:11]([N+:15](=[O:16])[O-:17])[cH:12][cH:13][cH:14]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:24][c:25]2[cH:26][c:27]([O:31][CH:35]([C:34](=[O:38])[O:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH3:37])[cH:28][cH:29][cH:30]2)[cH:32][cH:33]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-56964f2eb96f4bfea5351a939878615d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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