Acetic Acid → Methyl-phenethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
반응식
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:19][NH:20][CH2:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:48][C:49](=[O:50])[OH:51].[Cl:45][CH2:46][Cl:47].[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:42].[Na+:44].[OH-:43]>>[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH2:15][N:20]([CH3:19])[CH2:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:17][cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-88bf6d747d884e85a443336411b3a659
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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