Sodium ion → 2-fluoro-N-(thiazol-2-yl)-4-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-ylamino)benzenesulfonamide
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1.[CH3:35][C:36]1([CH3:37])[c:38]2[cH:39][cH:40][cH:41][c:42]([P:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56]2[O:57][c:58]2[c:59]1[cH:60][cH:61][cH:62][c:63]2[P:64]([c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][N:78]([CH3:79])[C:80](=[O:81])[CH3:82].[CH3:83][C:84]([CH3:85])([O-:86])[CH3:87].[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([CH2:24][n:25]2[n:26][cH:27][c:28]([NH2:30])[cH:29]2)[cH:31][cH:32]1)([F:33])[F:34].[Na+:88].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90]>>[c:2]1([NH:30][c:28]2[cH:27][n:26][n:25]([CH2:24][c:23]3[cH:22][cH:21][c:20]([C:19]([F:18])([F:33])[F:34])[cH:32][cH:31]3)[cH:29]2)[cH:3][c:4]([F:17])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1Participants
9
Reactant 8
HCID 923Sodium ion
HCID 23938Palladium2×
HCID 31374Dimethylacetamide
HCID 95417Dibenzylidene acetone3×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 45749132-Methylpropan-2-olate
HCID 251383534-Bromo-2-fluoro-N-thiazol-2-yl-benzenesulfonamide
HCID 575511981-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-amineProduct 1
Sources & evidence
- ORD record
- ord-5456074aac154153831153a5b71c1f73
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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