Dichloromethane → 4-Methyl-pentanoic acid {4-[4-(ethylcarbamoyl-phenyl-methyl)-piperazin-1-yl]-3-fluoro-phenyl}-amide
Reaction equation
[CH3:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[Cl:33])[CH3:34].[Cl:35][CH2:36][Cl:37].[NH2:1][c:2]1[cH:3][c:4]([F:26])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH:14]([C:15](=[O:16])[NH:17][CH2:18][CH3:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([F:26])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH:14]([C:15](=[O:16])[NH:17][CH2:18][CH3:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1)[C:31]([CH2:30][CH2:29][CH:28]([CH3:27])[CH3:34])=[O:32]Participants
4
Sources & evidence
- ORD record
- ord-499fdb535a87421d80cf38b510b69630
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)