Sodium ion → HCID 86626895, compound

HRID 147805Notes

Reaction equation

HRID 147805 reaction equation
[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:34][CH3:35])[c:8](-[c:10]2[c:11]([CH2:20][NH:21][c:22]3[n:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][n:27]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[F:36][c:37]1[cH:38][c:39]([CH2:40][Br:41])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1.[H-:49].[Na+:50]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:34][CH3:35])[c:8](-[c:10]2[c:11]([CH2:20][N:21]([c:22]3[n:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][n:27]3)[CH2:40][c:39]3[cH:38][c:37]([F:36])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 27375751-(Bromomethyl)-3-fluoro-5-(trifluoromethyl)benzeneHCID 67087545(5'-Isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine

Product 1

HCID 86626895HCID 86626895, compound

Sources & evidence

ORD record
ord-a2374118f02b497abd9a725fef032cbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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