Carbonate Ion → ethyl 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)sulfonylamino]pyrimidin-4-yl]oxypropanoate

HRID 679454Notes

Reaction equation

HRID 679454 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:57]([CH3:58])[O:59][C:60]([CH:61]([CH3:62])[O:63][c:64]1[n:65][c:66]([S:71][CH2:72][c:73]2[c:74]([F:80])[c:75]([F:79])[cH:76][cH:77][cH:78]2)[n:67][c:68]([Cl:70])[cH:69]1)=[O:81].[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[c:32]([CH:33]([CH3:34])[CH3:35])[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]2[CH:43]([CH3:44])[CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cs+:55].[Cs+:56].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH2:9][N:10]([S:13](=[O:14])(=[O:15])[NH2:16])[CH2:11][CH2:12]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([N:7]2[CH2:8][CH2:9][N:10]([S:13](=[O:14])(=[O:15])[NH:16][c:68]3[n:67][c:66]([S:71][CH2:72][c:73]4[c:74]([F:80])[c:75]([F:79])[cH:76][cH:77][cH:78]4)[n:65][c:64]([O:63][CH:61]([C:60]([O:59][CH2:57][CH3:58])=[O:81])[CH3:62])[cH:69]3)[CH2:11][CH2:12]2)[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 115867864-Pyridin-4-ylpiperazine-1-sulfonamideHCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate

Product 1

HCID 178472182ethyl 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)sulfonylamino]pyrimidin-4-yl]oxypropanoate

Sources & evidence

ORD record
ord-d9c4089261ca4013b03ba8916d89de37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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