Dichloromethane → N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2-phenyl-1,3-dioxan-5-yl)oxy]-4-pyrimidinyl]-1-azetidinesulfonamide

HRID 1138526Notes

Reaction equation

HRID 1138526 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:85]([Cl:86])[Cl:87].[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:69][CH2:70][c:71]2[c:72]([F:78])[c:73]([F:77])[cH:74][cH:75][cH:76]2)[n:53][c:54]([O:56][CH:57]2[CH2:58][O:59][CH:60]([c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[O:61][CH2:62]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:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:79]1[CH2:80][CH2:81][O:82][CH2:83][CH2:84]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89]>>[N:1]1([S:5](=[O:6])(=[O:7])[NH:8][c:50]2[n:51][c:52]([S:69][CH2:70][c:71]3[c:72]([F:78])[c:73]([F:77])[cH:74][cH:75][cH:76]3)[n:53][c:54]([O:56][CH:57]3[CH2:58][O:59][CH:60]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[O:61][CH2:62]3)[cH:55]2)[CH2:2][CH2:3][CH2:4]1

Participants

10

Reactant 9

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 450805661-AzetidinesulfonamideHCID 536283394-Chloro-2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2-phenyl-1,3-dioxan-5-yl)oxy]-pyrimidine

Product 1

HCID 53628338N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2-phenyl-1,3-dioxan-5-yl)oxy]-4-pyrimidinyl]-1-azetidinesulfonamide

Sources & evidence

ORD record
ord-c453e232363e4c2d83e016d0a1edb9c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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