Sodium ion → N-[5-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Reaction equation
[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[C:71](=[O:72])([O-:73])[O-:74].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][c:38]3[c:42]([cH:43][cH:44]2)[CH2:41][CH:40]([NH:45][S:46](=[O:47])(=[O:48])[CH:49]([CH3:50])[CH3:51])[CH2:39]3)[O:52]1.[CH:133]([Cl:134])([Cl:135])[Cl:136].[Cl:53][CH2:54][c:55]1[cH:56][c:57]([C:62]([F:63])([F:64])[F:65])[n:58][n:59]1[CH2:60][CH3:61].[Na+:75].[Na+:76].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:77].[Pd:78].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:36]1([CH2:54][c:55]2[cH:56][c:57]([C:62]([F:63])([F:64])[F:65])[n:58][n:59]2[CH2:60][CH3:61])[cH:37][c:38]2[c:42]([cH:43][cH:44]1)[CH2:41][CH:40]([NH:45][S:46](=[O:47])(=[O:48])[CH:49]([CH3:50])[CH3:51])[CH2:39]2Participants
11
Reactant 10
HCID 923Sodium ion2×
HCID 6212Chloroform
HCID 8028Tetrahydrofuran
HCID 11776Triphenylphosphine
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 67184N-bromobutanimide
HCID 95417Dibenzylidene acetone3×
HCID 252477555-(chloromethyl)-1-ethyl-3-(trifluoromethyl)-1H-pyrazole
HCID 46899971N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamideProduct 1
Sources & evidence
- ORD record
- ord-1559112d6cd54055bc14fe480d90fbeb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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