Calcium Cation → 1-(6-Chloropyridin-3-yl)-2,2,2-trifluoroethanone

HRID 2151668Notes

Reaction equation

HRID 2151668 reaction equation
[CH2:25]([N+:26]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[CH2:42]([Cl:43])[Cl:44].[Ca+2:17].[Cl:15][O-:16].[Cl:18][O-:19].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:8]([C:9]([F:10])([F:11])[F:12])[OH:13])[cH:6][cH:7]1.[OH2:14].[S:20]([O-:21])([OH:22])(=[O:23])=[O:24]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])=[O:13])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 271Calcium CationHCID 962WaterHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 61739Hypochlorite2×HCID 61778Sulfate, hydrogenHCID 199715811-(6-Chloropyridin-3-yl)-2,2,2-trifluoroethan-1-ol

Product 1

HCID 199715831-(6-Chloropyridin-3-yl)-2,2,2-trifluoroethanone

Sources & evidence

ORD record
ord-6a08132c5a334074bb5b69e4775223d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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