2-Methylpentane → Ethyl 2-[6-(azetidin-1-ylsulfonylamino)-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate

HRID 2148476Notes

Reaction equation

HRID 2148476 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]([CH3:50])[O:51][C:52]([CH:53]([CH3:54])[O:55][c:56]1[n:57][c:58]([S:63][CH2:64][c:65]2[c:66]([F:72])[c:67]([F:71])[cH:68][cH:69][cH:70]2)[n:59][c:60]([Cl:62])[cH:61]1)=[O:73].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[CH3:80][CH2:81][CH2:82][CH:83]([CH3:84])[CH3:85].[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([CH:25]([CH3:26])[CH3:27])[cH:28][c:29]([CH:30]([CH3:31])[CH3:32])[cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cs+:47].[Cs+:48].[N:1]1([S:5](=[O:6])(=[O:7])[NH2:8])[CH2:2][CH2:3][CH2:4]1.[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:142]1[CH2:143][CH2:144][O:145][CH2:146][CH2:147]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87]>>[N:1]1([S:5](=[O:6])(=[O:7])[NH:8][c:60]2[n:59][c:58]([S:63][CH2:64][c:65]3[c:66]([F:72])[c:67]([F:71])[cH:68][cH:69][cH:70]3)[n:57][c:56]([O:55][CH:53]([C:52]([O:51][CH2:49][CH3:50])=[O:73])[CH3:54])[cH:61]2)[CH2:2][CH2:3][CH2:4]1

Participants

11

Reactant 10

HCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 450805661-AzetidinesulfonamideHCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate

Product 1

HCID 72326167Ethyl 2-[6-(azetidin-1-ylsulfonylamino)-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate

Sources & evidence

ORD record
ord-5d4567f10bcd4a26b1a571cac2c47012
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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