Bicarbonate Ion → 4-[1-methyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine
Reaction equation
[Br:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:9]([Si:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]2.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:24][n:25]1[n:26][c:27](-[c:39]2[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]2)[c:28]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:29]1.[N:48]#[N:49].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[Pd:61].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:119]1([P:120]([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134][cH:135][cH:136][cH:137]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:28]2[c:27](-[c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[n:26][n:25]([CH3:24])[cH:29]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:9]([Si:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]2Participants
9
Reactant 8
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 947Nitrogen
HCID 11776Triphenylphosphine4×
HCID 23938Palladium
HCID 312751,4-Dioxane
HCID 687417291-methyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
HCID 689992204-bromo-1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridineProduct 1
Sources & evidence
- ORD record
- ord-0dcd15767a3f47228d34c381db3242fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…