HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Chloride → Tert-butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate

HRID 96940
Notes
Print preview

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]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium Ion2×HCID 962WaterHCID 1118Sulfuric AcidHCID 1140TolueneHCID 15538Tert-butyl acetoacetate
On this pageParticipantsSources & evidenceReaction notes
HCID 69871
1,2,3-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)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…