Bicarbonate Ion → 3-(4-(4-Methylpiperazin-1-yl)phenyl)butanamide
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[C:19]([O-:20])(=[O:21])[OH:22].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH:14]([CH2:15][C:16]#[N:17])[CH3:18])[cH:12][cH:13]2)[CH2:6][CH2:7]1.[Na+:23].[OH2:24]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH:14]([CH2:15][C:16]([NH2:17])=[O:20])[CH3:18])[cH:12][cH:13]2)[CH2:6][CH2:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-ad267f0cf61642e4b68a76832ea34214
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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