Sodium ion → 2-Phenyl-ethenesulfonic acid {5-p-tolyl-6-[2-(5-trifluoromethyl-pyridin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-amide

HRID 101890Notes

Reaction equation

HRID 101890 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[Cl:37][c:38]1[n:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]1.[H-:30].[Na+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH:1][CH2:2][CH2:3][O:4][c:5]1[c:6](-[c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)[c:7]([NH:11][S:12](=[O:13])(=[O:14])[CH:15]=[CH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:8][cH:9][n:10]1>>[O:1]([CH2:2][CH2:3][O:4][c:5]1[c:6](-[c:23]2[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]2)[c:7]([NH:11][S:12](=[O:13])(=[O:14])[CH:15]=[CH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:8][cH:9][n:10]1)[c:38]1[n:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 923422-Chloro-5-(trifluoromethyl)pyridineHCID 166653HydrideHCID 695584832-Phenyl-ethenesulfonic acid [6-(2-hydroxy-ethoxy)-5-p-tolyl-pyrimidin-4-yl]-amide

Product 1

HCID 740471892-Phenyl-ethenesulfonic acid {5-p-tolyl-6-[2-(5-trifluoromethyl-pyridin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-amide

Sources & evidence

ORD record
ord-0158491e4e4a4919a79b47a13d229b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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