Sodium ion → 5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylamino)-2-(4-methyl-imidazol-1-yl)-benzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:10]2[cH:11][n:12][c:13]([CH3:15])[cH:14]2)[c:6]([C:7]#[N:8])[cH:9]1.[CH3:16][n:17]1[n:18][c:19]([NH2:23])[n:20][c:21]1[CH3:22].[CH:137]([Cl:138])([Cl:139])[Cl:140].[Na+:31].[O-:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:80].[Pd:81].[Pd:82].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[c:41]3[c:65]([cH:66][cH:67][cH:68]2)[C:62]([CH3:63])([CH3:64])[c:44]2[c:43]([c:48]([P:49]([c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[cH:47][cH:46][cH:45]2)[O:42]3)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[c:2]1([NH:23][c:19]2[n:18][n:17]([CH3:16])[c:21]([CH3:22])[n:20]2)[cH:3][cH:4][c:5](-[n:10]2[cH:11][n:12][c:13]([CH3:15])[cH:14]2)[c:6]([C:7]#[N:8])[cH:9]1Participants
11
Reactant 10
HCID 923Sodium ion
HCID 962Water
HCID 6212Chloroform
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 119047Phenolate
HCID 307976dimethyl-1H-1,2,4-triazol-3-amine
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 669615175-bromo-2-(4-methyl-1H-imidazol-1-yl)benzonitrileProduct 1
Sources & evidence
- ORD record
- ord-64b3ed4450f4485ebc50bb9f5db5a1eb
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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