Sodium ion → 3-[2-Chloro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-1,1,1-trifluoro-2-quinolin-3-yl-butan-2-ol

HRID 822927Notes

Reaction equation

HRID 822927 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([CH2:37][Br:38])[cH:39][cH:40]1.[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][c:4]([OH:26])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[cH:15][n:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23]1)[OH:24])[CH3:25].[Cs+:45].[Cs+:46].[H-:28].[Na+:27].[OH2:53]>>[Cl:1][c:2]1[cH:3][c:4]([O:26][CH2:37][c:36]2[cH:35][cH:34][c:33]([S:30]([CH3:29])(=[O:31])=[O:32])[cH:40][cH:39]2)[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[cH:15][n:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23]1)[OH:24])[CH3:25]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 166653HydrideHCID 27335814-(Methylsulfonyl)benzyl BromideHCID 574212993-Chloro-4-(3,3,3-trifluoro-2-hydroxy-1-methyl-2-quinolin-3-yl-propyl)-phenol

Product 1

HCID 574740523-[2-Chloro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-1,1,1-trifluoro-2-quinolin-3-yl-butan-2-ol

Sources & evidence

ORD record
ord-2e5772076ce7420ca98f4cd5de3e670c
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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