Sodium ion → 2-(3,3,4,4,4-Pentafluorobutyl)-2-(4-(trifluoromethoxy)benzyl)malononitrile

HRID 199333

Reaction equation

[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][CH:9]([C:10]#[N:11])[C:12]#[N:13])[cH:14][cH:15]1)([F:16])[F:17].[H-:18].[I:20][CH2:21][CH2:22][C:23]([C:24]([F:25])([F:26])[F:27])([F:28])[F:29].[Na+:19]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9]([C:10]#[N:11])([C:12]#[N:13])[CH2:21][CH2:22][C:23]([C:24]([F:25])([F:26])[F:27])([F:28])[F:29])[cH:14][cH:15]1)([F:16])[F:17]

Participants

Reactant 5

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 1100921,1,1,2,2-Pentafluoro-4-iodobutane

HCID 166653Hydride

HCID 22235052(4-(Trifluoromethoxy)benzyl)malononitrile

Product 1

HCID 222350052-(3,3,4,4,4-Pentafluorobutyl)-2-(4-(trifluoromethoxy)benzyl)malononitrile

Sources & evidence

ORD record: ord-1c14edf26cf64a98824b83689dadb7d7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Linked notes

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