Acetonitrile → 4-(3-Methyl-2-nitrophenyl)-piperazine-1-carboxylic acid tert-butyl ester
반응식
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:1][c:2]1[c:3]([N+:16](=[O:17])[O-:18])[c:4]([O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15])[cH:5][cH:6][cH:7]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41]>>[CH3:1][c:2]1[c:3]([N+:16](=[O:17])[O-:18])[c:4]([N:29]2[CH2:28][CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30]2)[cH:5][cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-a5d83ec690a74816885ef1eba3798eaa
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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