Sodium ion → 2-Amino-3-{4-[6-(2,2,2-trifluoro-1-phenyl-ethoxy)-pyrimidin-4-yl]-phenyl}-propionic acid
Reaction equation
[B:20]([OH:21])([OH:22])[c:23]1[cH:24][cH:25][c:26]([CH2:27][CH:28]([NH2:29])[C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[CH3:35][C:36]#[N:37].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:7]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:44]>>[c:2]1(-[c:23]2[cH:24][cH:25][c:26]([CH2:27][CH:28]([NH2:29])[C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[n:3][cH:4][n:5][c:6]([O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-af6cf1ed5c114401b1f740e0adf89399
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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