Sodium ion → Flufenprox

HRID 146606Notes

Reaction equation

HRID 146606 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH:12]([CH2:13][OH:14])[C:15]([F:16])([F:17])[F:18])[cH:10][cH:11]1.[Cl:19][c:20]1[cH:21][cH:22][c:23]([O:24][c:25]2[cH:26][c:27]([CH2:28][Br:29])[cH:30][cH:31][cH:32]2)[cH:33][cH:34]1.[H-:1].[Na+:2].[OH2:35]>>[CH2:3]([CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH:12]([CH2:13][O:14][CH2:28][c:27]2[cH:26][c:25]([O:24][c:23]3[cH:22][cH:21][c:20]([Cl:19])[cH:34][cH:33]3)[cH:32][cH:31][cH:30]2)[C:15]([F:16])([F:17])[F:18])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 166653HydrideHCID 10681171(RS)-1,1,1-trifluoro-2-(4-ethoxyphenyl)propan-3-olHCID 147188031-(Bromomethyl)-3-(4-chlorophenoxy)benzene

Product 1

HCID 86103Flufenprox

Sources & evidence

ORD record
ord-4eb9151d31394c429b760c5bf5a7a417
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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