Carbonate Ion → 4-[6-(5-Methanesulfonyl-2,3-dihydro-indol-1-yl)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester
Reaction equation
[B-:42]([F:43])([F:44])([F:45])[F:46].[C:23](=[O:24])([O-:25])[O-:26].[C:47]([PH+:48]([C:49]([CH3:50])([CH3:51])[CH3:52])[C:53]([CH3:54])([CH3:55])[CH3:56])([CH3:57])([CH3:58])[CH3:59].[CH3:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][c:35]2[c:39]([cH:40][cH:41]1)[NH:38][CH2:37][CH2:36]2.[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:22])[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1.[CH:62](=[CH:63][C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)=[O:73])[c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:80](=[CH:81][C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)=[O:91])[c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[CH:98](=[CH:99][C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)=[O:109])[c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Cs+:27].[Cs+:28].[O:116]1[CH2:117][CH2:118][O:119][CH2:120][CH2:121]1.[Pd:60].[Pd:61]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([N:38]3[CH2:37][CH2:36][c:35]4[cH:34][c:33]([S:30]([CH3:29])(=[O:31])=[O:32])[cH:41][cH:40][c:39]43)[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1Participants
10
Reactant 9
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 26255Tetrafluoroborate
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 27361365-(Methanesulfonyl)-2,3-dihydro-1H-indole
HCID 4060964Tri-t-butylphosphonium
HCID 51050526Isopropyl 4-[(6-chloro-5-methoxypyrimidin-4-yl)oxy]piperidine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-d0395559462f4bfdb3702f5deacfd2cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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