Water → 3-(2-Chloro-4-methoxy-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

HRID 1225109Notes

Reaction equation

HRID 1225109 reaction equation
[CH3:33][N+:34]([CH3:35])([CH3:36])[CH3:37].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:1][c:2]1[c:3]([CH:10]([C:11](=[O:12])[c:13]2[cH:14][c:15]([Cl:19])[n:16][cH:17][cH:18]2)[CH3:20])[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1.[F-:32].[F:21][C:22]([F:23])([F:24])[Si:25]([CH3:26])([CH3:27])[CH3:28].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:29].[OH2:30].[OH2:31].[OH2:38]>>[Cl:1][c:2]1[c:3]([CH:10]([C:11]([OH:12])([c:13]2[cH:14][c:15]([Cl:19])[n:16][cH:17][cH:18]2)[C:22]([F:21])([F:23])[F:24])[CH3:20])[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1

Participants

8

Reactant 7

HCID 962Water4×HCID 6380TetramethylammoniumHCID 8028TetrahydrofuranHCID 8900HeptaneHCID 28179Fluoride IonHCID 552549(Trifluoromethyl)trimethylsilaneHCID 86645943HCID 86645943, compound

Product 1

HCID 574212633-(2-Chloro-4-methoxy-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

Sources & evidence

ORD record
ord-2b25095d3304469fa50c0f3ac6150f3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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