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

HRID 186836Notes

Reaction equation

HRID 186836 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([S:9](=[O:10])(=[O:11])[NH2:12])[CH2:7][CH2:8]1.[CH2:53]([CH3:54])[O:55][C:56]([CH:57]([CH3:58])[O:59][c:60]1[n:61][c:62]([S:67][CH2:68][c:69]2[c:70]([F:76])[c:71]([F:75])[cH:72][cH:73][cH:74]2)[n:63][c:64]([Cl:66])[cH:65]1)=[O:77].[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([CH:29]([CH3:30])[CH3:31])[cH:32][c:33]([CH:34]([CH3:35])[CH3:36])[cH:37][c:38]2[CH:39]([CH3:40])[CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cs+:51].[Cs+:52].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:84].[Pd:85]>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([S:9](=[O:10])(=[O:11])[NH:12][c:64]2[n:63][c:62]([S:67][CH2:68][c:69]3[c:70]([F:76])[c:71]([F:75])[cH:72][cH:73][cH:74]3)[n:61][c:60]([O:59][CH:57]([C:56]([O:55][CH2:53][CH3:54])=[O:77])[CH3:58])[cH:65]2)[CH2:7][CH2:8]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 431319164-Ethylpiperazine-1-sulfonamideHCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate

Product 1

HCID 178472183ethyl 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(4-ethylpiperazin-1-yl)sulfonylamino]pyrimidin-4-yl]oxypropanoate

Sources & evidence

ORD record
ord-0af5a8d41ab44c2e9fd2eaaa7d2ec2b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…