Phenylacetylene → tert-butyl N-[5-(4-methylpiperazin-1-yl)-2-nitro-4-(2-phenylethynyl)phenyl]carbamate
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:22](=[O:23])[O-:24])[cH:10][c:11]([I:21])[c:12]([N:14]2[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2)[cH:13]1)=[O:25].[c:26]1([C:32]#[CH:33])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:22](=[O:23])[O-:24])[cH:10][c:11]([C:33]#[C:32][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12]([N:14]2[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]2)[cH:13]1)=[O:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-f71ef7f8bb4b47d78ba79d7d03e29deb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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