Sodium ion → N-(cyanomethyl)-2-[(4-{[4-(2-fluoroethyl)piperazin-1-yl]carbonyl}phenyl)(phenyl)methoxy]-4-methylpentanamide
Reaction equation
[Br:40][CH2:41][CH2:42][F:43].[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[O:11][CH:12]([c:13]1[cH:14][cH:15][c:16]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[cH:17][cH:18]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33].[C:34](=[O:35])([O-:36])[O-:37].[CH3:44][C:45]#[N:46].[Na+:38].[Na+:39]>>[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[O:11][CH:12]([c:13]1[cH:14][cH:15][c:16]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][N:24]([CH2:41][CH2:42][F:43])[CH2:25][CH2:26]2)[cH:17][cH:18]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-415fa4df664d44538c2749bc1cc51662
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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