Benzaldehyde → N-[2-[[1-[2-(benzylamino)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
反応式
[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[Cl:38][CH2:39][Cl:40].[NH2:9][CH:10]1[CH:11]([N:16]2[CH2:17][CH:18]([NH:21][C:22]([CH2:23][NH:24][C:25]([c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)=[O:36])=[O:37])[CH2:19][CH2:20]2)[CH2:12][CH2:13][CH2:14][CH2:15]1>>[CH2:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[NH:9][CH:10]1[CH:11]([N:16]2[CH2:17][CH:18]([NH:21][C:22]([CH2:23][NH:24][C:25]([c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)=[O:36])=[O:37])[CH2:19][CH2:20]2)[CH2:12][CH2:13][CH2:14][CH2:15]1参加物
5
出典と根拠
- ORDレコード
- ord-6bcfda9a541b423080001c24e7325a83
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
- DOI