Carbonate Ion → N-{2-[(2,3-Difluorobenzyl)thio]-6-methoxypyrimidin-4-yl}piperidine-4-sulfonamide

HRID 104751Notes

Reaction equation

HRID 104751 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH:11]1([P:12]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2-[c:25]2[c:26]([CH:27]([CH3:28])[CH3:29])[cH:30][c:31]([CH:32]([CH3:33])[CH3:34])[cH:35][c:36]2[CH:37]([CH3:38])[CH3:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[Cl:51][c:52]1[n:53][c:54]([S:60][CH2:61][c:62]2[c:63]([F:69])[c:64]([F:68])[cH:65][cH:66][cH:67]2)[n:55][c:56]([O:58][CH3:59])[cH:57]1.[Cs+:49].[Cs+:50].[NH:1]1[CH2:2][CH2:3][CH:4]([S:7](=[O:8])(=[O:9])[NH2:10])[CH2:5][CH2:6]1.[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77]>>[NH:1]1[CH2:2][CH2:3][CH:4]([S:7](=[O:8])(=[O:9])[NH:10][c:52]2[n:53][c:54]([S:60][CH2:61][c:62]3[c:63]([F:69])[c:64]([F:68])[cH:65][cH:66][cH:67]3)[n:55][c:56]([O:58][CH3:59])[cH:57]2)[CH2:5][CH2:6]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 18351283Piperidine-4-sulfonamideHCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidine

Product 1

HCID 58277465N-{2-[(2,3-Difluorobenzyl)thio]-6-methoxypyrimidin-4-yl}piperidine-4-sulfonamide

Sources & evidence

ORD record
ord-34d01844fe274339bfe592a3f0844236
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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