Carbonate Ion → 3-{[tert-butyl(diphenyl)silyl]oxy}-N-{2-[(2,3-difluorobenzyl)thio]-6-methoxypyrimidin-4-yl}azetidine-1-sulfonamide

HRID 2143177Notes

Reaction equation

HRID 2143177 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[Si:24]([O:25][CH:26]1[CH2:27][N:28]([S:30](=[O:31])(=[O:32])[NH2:33])[CH2:29]1)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[C:80](=[O:81])([O-:82])[O-:83].[CH:46]1([P:47]([CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2-[c:60]2[c:61]([CH:62]([CH3:63])[CH3:64])[cH:65][c:66]([CH:67]([CH3:68])[CH3:69])[cH:70][c:71]2[CH:72]([CH3:73])[CH3:74])[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]1.[Cl:1][c:2]1[n:3][c:4]([S:10][CH2:11][c:12]2[c:13]([F:19])[c:14]([F:18])[cH:15][cH:16][cH:17]2)[n:5][c:6]([O:8][CH3:9])[cH:7]1.[Cs+:84].[Cs+:85].[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]>>[c:2]1([NH:33][S:30]([N:28]2[CH2:27][CH:26]([O:25][Si:24]([C:20]([CH3:21])([CH3:22])[CH3:23])([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:29]2)(=[O:31])=[O:32])[n:3][c:4]([S:10][CH2:11][c:12]2[c:13]([F:19])[c:14]([F:18])[cH:15][cH:16][cH:17]2)[n:5][c:6]([O:8][CH3:9])[cH:7]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 670512473-(tert-Butyl-diphenyl-silanyloxy)-azetidine-1-sulfonamideHCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidine

Product 1

HCID 536283983-{[tert-butyl(diphenyl)silyl]oxy}-N-{2-[(2,3-difluorobenzyl)thio]-6-methoxypyrimidin-4-yl}azetidine-1-sulfonamide

Sources & evidence

ORD record
ord-98993518dfd54ce389681cb82304e046
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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