Sodium ion → tert-Butyl 2-(1,1,1-trifluorobut-3-en-2-yloxy)acetate

HRID 315515Notes

Reaction equation

HRID 315515 reaction equation
[Br:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[CH2:14]([N+:15]([CH2:16][CH2:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH3:30].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:64][O:65][C:66]([CH3:67])([CH3:68])[CH3:69].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:1](=[O:2])[CH:3]=[CH2:4].[F-:13].[F:5][C:6]([F:7])([F:8])[Si:9]([CH3:10])([CH3:11])[CH3:12].[Na+:41].[OH-:40].[OH2:70].[S:42]([O-:43])([OH:44])(=[O:45])=[O:46]>>[CH:1]([O:2][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])([CH:3]=[CH2:4])[C:6]([F:5])([F:7])[F:8]

Participants

13

Reactant 12

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 7847AcroleinHCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 16028Tetrabutylammonium2×HCID 28179Fluoride IonHCID 61778Sulfate, hydrogenHCID 79177tert-Butyl bromoacetateHCID 552549(Trifluoromethyl)trimethylsilane

Product 1

HCID 86668365tert-Butyl 2-(1,1,1-trifluorobut-3-en-2-yloxy)acetate

Sources & evidence

ORD record
ord-1e9d0f9517594504a60f86ae3656002e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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