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

Benzene → 3-(2-Chlorophenyl)-6-(2,4-difluorophenoxy)-4-methyl-5-oxo-4,5-dihydro-pyrazolo[4,3-b]pyridine-1-carboxylic acid tert-butyl ester

HRID 2340089
Notes
Print preview

Reaction equation

HRID 2340089 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([I:28])[c:11]2[n:12]([CH3:27])[c:13](=[O:26])[c:14]([O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:15][c:16]12.[CH3:51][OH:52].[Cl:35][c:36]1[c:37]([B:42]([OH:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]1.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:37]2[c:36]([Cl:35])[cH:41][cH:40][cH:39][cH:38]2)[c:11]2[n:12]([CH3:27])[c:13](=[O:26])[c:14]([O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:15][c:16]12
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 241BenzeneHCID 887MethanolHCID 923Sodium Ion2×HCID 19660Carbonate IonHCID 27343222-Chlorophenylboronic acidHCID 598128286-(2,4-Difluorophenoxy)-3-iodo-4-methyl-5-oxo-4,5-dihydro-pyrazolo[4,3-b]pyridine-1-carboxylic acid tert-butyl ester
HCID 178420554
HCID 178420554, compound

Product 1

HCID 598127853-(2-Chlorophenyl)-6-(2,4-difluorophenoxy)-4-methyl-5-oxo-4,5-dihydro-pyrazolo[4,3-b]pyridine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-babb383edba640c1aa6235699c29caef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes