Potassium Cation → Carbamic acid, [4-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-thienyl]-, 1,1-dimethylethyl ester (9CI)
Reaction equation
[Br:29][c:30]1[cH:31][c:32]([NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[s:33][cH:34]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]3)[c:12]3[n:13][cH:14][cH:15][cH:16][c:17]23)[O:28]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[K+:47].[K+:48].[OH2:49].[Pd:62].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:120]1([P:121]([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135][cH:136][cH:137][cH:138]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:9]1(-[c:30]2[cH:31][c:32]([NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[s:33][cH:34]2)[cH:10][n:11]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]2)[c:12]2[n:13][cH:14][cH:15][cH:16][c:17]12Participants
10
Reactant 9
HCID 813Potassium Cation2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 8857Ethyl Acetate
HCID 11776Triphenylphosphine4×
HCID 19660Carbonate Ion
HCID 23938Palladium
HCID 497589593-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
HCID 56763855tert-Butyl (4-bromothiophen-2-yl)carbamateProduct 1
Sources & evidence
- ORD record
- ord-039a6286d76c4832b6ef785cda5f3cea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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