N,N-Dimethylglycine → [2-Nitro-4-(3-nitro-phenoxy)-phenyl]-acetic acid ethyl ester
반응식
[C:34](=[O:35])([O-:36])[O-:37].[CH2:11]([CH3:12])[O:13][C:14]([CH2:15][c:16]1[c:17]([N+:23](=[O:24])[O-:25])[cH:18][c:19]([Br:22])[cH:20][cH:21]1)=[O:26].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:27][N:28]([CH2:29][C:30](=[O:31])[OH:32])[CH3:33].[Cs+:38].[Cs+:39].[Cu:47]([I:48])[I:49].[OH2:46].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1)[c:19]1[cH:18][c:17]([N+:23](=[O:24])[O-:25])[c:16]([CH2:15][C:14]([O:13][CH2:11][CH3:12])=[O:26])[cH:21][cH:20]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-16ec13f4f7014224a0031a2a15241f6f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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