Sodium ion → 5-(4-Chloro-phenyl)-N-(2-cyclopropyl-2-hydroxy-propyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinamide

HRID 1205887Notes

Reaction equation

HRID 1205887 reaction equation
[Br:1][c:2]1[c:3]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[n:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][C:11]([CH3:12])([OH:13])[CH:14]2[CH2:15][CH2:16]2)[cH:17]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:44]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([Cl:28])[cH:34][cH:33]2)[c:3]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[n:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][C:11]([CH3:12])([OH:13])[CH:14]2[CH2:15][CH2:16]2)[cH:17]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 742994-Chlorophenylboronic acidHCID 866347985-Bromo-N-(2-cyclopropyl-2-hydroxy-propyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinamide

Product 1

HCID 442406755-(4-Chloro-phenyl)-N-(2-cyclopropyl-2-hydroxy-propyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinamide

Sources & evidence

ORD record
ord-8e09c104cedc479ea9c7f36647441595
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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