Hydrochloric Acid → 4-[4-[1-(4-Methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-diazepan-5-one
反応式
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:16][CH2:17][CH2:18][CH2:19][N:20]([CH2:21][CH2:22][CH3:23])[CH:24]([CH2:25][c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]2)[CH3:36])[C:12](=[O:15])[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[ClH:37].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:16][CH2:17][CH2:18][CH2:19][N:20]([CH2:21][CH2:22][CH3:23])[CH:24]([CH2:25][c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]2)[CH3:36])[C:12](=[O:15])[CH2:13][CH2:14]1参加物
5
出典と根拠
- ORDレコード
- ord-94eea2668a204d9884cb0d2d20ed5810
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
- DOI