1-Butanol → 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-
반응식
[CH2:25]([OH:26])[CH2:27][CH2:28][CH3:29].[Cl:1][CH2:2][CH2:3][CH2:4][C:5]#[N:6].[Na+:19].[Na+:20].[O-:21][C:22](=[O:23])[O-:24].[OH2:30].[n:7]1[c:8]([N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[n:9][cH:10][cH:11][cH:12]1>>[CH2:2]([CH2:3][CH2:4][C:5]#[N:6])[N:16]1[CH2:15][CH2:14][N:13]([c:8]2[n:7][cH:12][cH:11][cH:10][n:9]2)[CH2:18][CH2:17]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-12e08c36ff214c9d923a864b6dafad55
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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