Chloride → tert-Butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate

HRID 96940

Reaction equation

HRID 96940 reaction equation
[C:1]([CH2:2][C:3](=[O:4])[CH3:5])(=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11].[C:29](=[O:30])([OH:31])[O-:32].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl-:35].[F:12][c:13]1[c:14]([F:23])[c:15]([F:22])[c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]1.[Na+:33].[Na+:34].[OH2:43].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[C:1]([CH:2]([C:3](=[O:4])[CH3:5])[c:15]1[c:14]([F:23])[c:13]([F:12])[cH:18][cH:17][c:16]1[N+:19](=[O:20])[O-:21])(=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11]

Participants

9

Reactant 8

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 1118Sulfuric AcidHCID 1140TolueneHCID 15538Tert-butyl acetoacetateHCID 698711,2,3-Trifluoro-4-nitrobenzene

Product 1

HCID 44828787tert-Butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate

Sources & evidence

ORD record
ord-68b3931c2d4d4a54bc7604abaa42d8a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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