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Sodium Ion → Ethyl 4-cyano-2,2-bis(4-fluorophenyl)butanoate

HRID 1544572
Notes
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Reaction equation

HRID 1544572 reaction equation
[CH2:25]=[CH:26][C:27]#[N:28].[CH3:22][CH2:23][O-:24].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:6][cH:7]1.[Na+:21].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])([c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[CH2:25][CH2:26][C:27]#[N:28])[cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium IonHCID 7855AcrylonitrileHCID 312751,4-DioxaneHCID 1194401-Hydroxyethyl radicalHCID 54751768Ethyl 2,2-bis(4-fluorophenyl)acetate

Product 1

HCID 67358414Ethyl 4-cyano-2,2-bis(4-fluorophenyl)butanoate

Sources & evidence

ORD record
ord-25778ca6f589487a8fff767dc9622b05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes