Sodium ion → 1,1,1-Trifluoro-2-[1-[[4-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)quinolin-7-yl]methyl]triazol-4-yl]butan-2-ol

HRID 665267Notes

Reaction equation

HRID 665267 reaction equation
[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([CH2:19][n:20]3[n:21][n:22][c:23]([C:25]([C:26]([F:27])([F:28])[F:29])([CH2:30][CH3:31])[OH:32])[cH:24]3)[cH:7][cH:8][c:9]2[c:10](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:11]1.[F:33][C:34]([CH2:35][O-:36])([F:37])[F:38].[Na+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[c:2]1([O:36][CH2:35][C:34]([F:33])([F:37])[F:38])[n:3][c:4]2[cH:5][c:6]([CH2:19][n:20]3[n:21][n:22][c:23]([C:25]([C:26]([F:27])([F:28])[F:29])([CH2:30][CH3:31])[OH:32])[cH:24]3)[cH:7][cH:8][c:9]2[c:10](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:11]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6228DimethylformamideHCID 144719362,2,2-TrifluoroethanolateHCID 250553122-(1-{[2-chloro-4-(4-fluorophenyl)quinolin-7-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,1,1-trifluorobutan-2-ol

Product 1

HCID 250555721,1,1-Trifluoro-2-[1-[[4-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)quinolin-7-yl]methyl]triazol-4-yl]butan-2-ol

Sources & evidence

ORD record
ord-5a84e6d0bc3c430a897a6d777c32c0d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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