Carbonate Ion → N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yloxy]pyrimidin-4-yl]azetidine-1-sulfonamide

HRID 1126492Notes

Reaction equation

HRID 1126492 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[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.[Cl:49][c:50]1[n:51][c:52]([S:67][CH2:68][c:69]2[c:70]([F:76])[c:71]([F:75])[cH:72][cH:73][cH:74]2)[n:53][c:54]([O:56][C:57]([CH3:58])([CH3:59])[CH:60]2[O:61][C:62]([CH3:65])([CH3:66])[O:63][CH2:64]2)[cH:55]1.[Cs+:47].[Cs+:48].[N:1]1([S:5](=[O:6])(=[O:7])[NH2:8])[CH2:2][CH2:3][CH2:4]1.[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84]>>[N:1]1([S:5](=[O:6])(=[O:7])[NH:8][c:50]2[n:51][c:52]([S:67][CH2:68][c:69]3[c:70]([F:76])[c:71]([F:75])[cH:72][cH:73][cH:74]3)[n:53][c:54]([O:56][C:57]([CH3:58])([CH3:59])[CH:60]3[O:61][C:62]([CH3:65])([CH3:66])[O:63][CH2:64]3)[cH:55]2)[CH2:2][CH2:3][CH2:4]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 450805661-AzetidinesulfonamideHCID 878566174-Chloro-2-[(2,3-difluorophenyl)methylsulfanyl]-6-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yloxy]pyrimidine

Product 1

HCID 69492155N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yloxy]pyrimidin-4-yl]azetidine-1-sulfonamide

Sources & evidence

ORD record
ord-4adada59d89d4d8fb35399e801198130
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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