Bicarbonate Ion → N-(cyanomethyl)-4-methyl-2-[[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]amino]pentanamide
Reaction equation
[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([NH:7][c:8]1[n:9][n:10]([CH3:32])[cH:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([N:19]2[CH2:20][CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]2)[cH:17][cH:18]1)[CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([NH:7][c:8]1[n:9][n:10]([CH3:32])[cH:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([N:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:17][cH:18]1)[CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37]Participants
5
Sources & evidence
- ORD record
- ord-2972cb13f8d9439ebbc1e7847970b8a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…