Water → 1-Ethynyl-1-(trifluoromethyl)but-3-en-1-yl 4-nitrobenzoate

HRID 97511Notes

Reaction equation

HRID 97511 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:34][CH2:35][CH2:36][CH2:37][N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50].[F-:33].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH2:12][CH:13]=[CH2:14])([C:15]#[C:16][Si:17]([CH:18]([CH3:19])[CH3:20])([CH:21]([CH3:22])[CH3:23])[CH:24]([CH3:25])[CH3:26])[C:27]([F:28])([F:29])[F:30])[cH:31][cH:32]1.[OH2:56]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH2:12][CH:13]=[CH2:14])([C:15]#[CH:16])[C:27]([F:28])([F:29])[F:30])[cH:31][cH:32]1

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 59774863HCID 59774863, compound

Product 1

HCID 597748961-Ethynyl-1-(trifluoromethyl)but-3-en-1-yl 4-nitrobenzoate

Sources & evidence

ORD record
ord-209604b47f8f4a448fce422ae8c75b3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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