Dimethylamine → 1-[4-[[4-[2-[3-(Dimethylamino)propyl]-2H-tetrazol-5-yl]phenoxy]methyl]-2-hydroxy-3-propylphenyl]ethanone
반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:30])[c:6]([CH2:27][CH2:28][CH3:29])[c:7]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[n:19][n:20][n:21]([CH2:23][CH2:24][CH2:25][Br:26])[n:22]3)[cH:16][cH:17]2)[cH:8][cH:9]1.[CH3:31][NH:32][CH3:33].[CH3:34][C:35]#[N:36]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:30])[c:6]([CH2:27][CH2:28][CH3:29])[c:7]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[n:19][n:20][n:21]([CH2:23][CH2:24][CH2:25][N:32]([CH3:31])[CH3:33])[n:22]3)[cH:16][cH:17]2)[cH:8][cH:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-8b1f83e0a1df48cf99c88ee732deda1f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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