Dimethylformamide → N-[4-(4-chlorophenyl)phenyl]-3-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]phenyl]prop-2-enamide
Reaction equation
[CH:1]1([NH:7][CH2:8][CH2:9][OH:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][cH:20][c:21]([NH:24][C:25]([CH:26]=[CH:27][c:28]3[cH:29][cH:30][c:31]([CH2:34][Cl:35])[cH:32][cH:33]3)=[O:36])[cH:22][cH:23]2)[cH:16][cH:17]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH:1]1([N:7]([CH2:8][CH2:9][OH:10])[CH2:34][c:31]2[cH:30][cH:29][c:28]([CH:27]=[CH:26][C:25]([NH:24][c:21]3[cH:20][cH:19][c:18](-[c:15]4[cH:14][cH:13][c:12]([Cl:11])[cH:17][cH:16]4)[cH:23][cH:22]3)=[O:36])[cH:33][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-3c7529ca25fa4b97a2af96b32e8d5c9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
- DOI