Sodium ion → N-[3-(3,5-dimethylpiperazin-1-yl)-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[O:8][C:9]([F:10])([F:11])[F:12].[CH3:28][CH:29]1[NH:30][CH:31]([CH3:35])[CH2:32][NH:33][CH2:34]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[N:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Na+:41].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77]>>[c:2]1([N:33]2[CH2:32][CH:31]([CH3:35])[NH:30][CH:29]([CH3:28])[CH2:34]2)[cH:3][c:4]([NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[cH:21][cH:22]2)[cH:5][cH:6][c:7]1[O:8][C:9]([F:10])([F:11])[F:12]Participants
9
Reactant 8
HCID 923Sodium ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 660562,6-Dimethylpiperazine
HCID 95417Dibenzylidene acetone3×
HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl
HCID 45749132-Methylpropan-2-olate
HCID 69198455N-{3-Bromo-4-[(trifluoromethyl)oxy]phenyl}-4-(2-thienyl)benzenesulfonamideProduct 1
Sources & evidence
- ORD record
- ord-f5b1623653b44b058da68b97ec2c2e68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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