Bicarbonate Ion → 3-cyano-N-[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxy-N-methylnaphthalene-1-carboxamide
반응식
[C:16](=[O:17])([OH:18])[O-:19].[C:21](#[N:22])[c:23]1[c:24]([O:36][CH3:37])[c:25]([C:33](=[O:34])[Cl:35])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[cH:32]1.[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][NH:11][CH3:12])[CH2:13][CH2:14][OH:15])[cH:5][cH:6][c:7]1[Cl:8].[Cl:38][CH2:39][Cl:40].[Na+:20]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([CH3:12])[C:33]([c:25]2[c:24]([O:36][CH3:37])[c:23]([C:21]#[N:22])[cH:32][c:31]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)=[O:34])[CH2:13][CH2:14][OH:15])[cH:5][cH:6][c:7]1[Cl:8]참가 물질
6
출처 및 근거
- ORD 기록
- ord-f41796a831ef4d42940147dc7bef86bb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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