Sodium ion → 3-(2-Chloro-4-methoxy-phenyl)-1,1,1-trifluoro-2-(2-methyl-pyridin-4-yl)-butan-2-ol

HRID 694054Notes

Reaction equation

HRID 694054 reaction equation
[C:50](=[O:51])([O-:52])[O-:53].[CH2:33]([N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[Cl:9][c:10]1[c:11]([CH:18]([C:19](=[O:20])[c:21]2[cH:22][c:23]([CH3:27])[n:24][cH:25][cH:26]2)[CH3:28])[cH:12][cH:13][c:14]([O:16][CH3:17])[cH:15]1.[F-:32].[F:1][C:2]([F:3])([F:4])[Si:5]([CH3:6])([CH3:7])[CH3:8].[Na+:54].[Na+:55].[OH2:29].[OH2:30].[OH2:31]>>[F:1][C:2]([F:3])([F:4])[C:19]([CH:18]([c:11]1[c:10]([Cl:9])[cH:15][c:14]([O:16][CH3:17])[cH:13][cH:12]1)[CH3:28])([OH:20])[c:21]1[cH:22][c:23]([CH3:27])[n:24][cH:25][cH:26]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962Water3×HCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 552549(Trifluoromethyl)trimethylsilaneHCID 666991512-(2-Chloro-4-methoxy-phenyl)-1-(2-methyl-pyridin-4-yl)-propan-1-one

Product 1

HCID 252528933-(2-Chloro-4-methoxy-phenyl)-1,1,1-trifluoro-2-(2-methyl-pyridin-4-yl)-butan-2-ol

Sources & evidence

ORD record
ord-973ba6a370064711bbb9e238602b0e8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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