Acetonitrile → N-tert-Butyl-3-((4-(4-(3-(cyclopropylmethyl)ureido)-2-fluorobenzoyl)piperazin-1-yl)methyl)benzamide
Reaction equation
[CH3:49][C:50]#[N:51].[CH:44]1([CH2:47][NH2:48])[CH2:45][CH2:46]1.[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:9]([O-:10])=[O:11])[cH:12][cH:13]1.[NH2:14][c:15]1[cH:16][c:17]([F:43])[c:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([CH2:27][c:28]3[cH:29][c:30]([C:31](=[O:32])[NH:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:38][cH:39][cH:40]3)[CH2:25][CH2:26]2)[cH:41][cH:42]1>>[C:2](=[O:3])([NH:14][c:15]1[cH:16][c:17]([F:43])[c:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([CH2:27][c:28]3[cH:29][c:30]([C:31](=[O:32])[NH:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:38][cH:39][cH:40]3)[CH2:25][CH2:26]2)[cH:41][cH:42]1)[NH:48][CH2:47][CH:44]1[CH2:45][CH2:46]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-2e6424a0a9dc4465be4a806d0a54f555
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…