Sodium ion → 5-(5-Bromo-pyrazin-2-yl)-2-(2,6-dimethyl-morpholin-4-yl)-3,4-difluoro-benzaldehyde

HRID 1119954Notes

Reaction equation

HRID 1119954 reaction equation
[Br:38][c:39]1[n:40][cH:41][c:42]([I:45])[n:43][cH:44]1.[C:35](#[N:36])[CH3:37].[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:53][Pd:54][Cl:55].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:34].[OH2:52].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13](-[c:42]3[cH:41][n:40][c:39]([Br:38])[cH:44][n:43]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962Water2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 219312002-Bromo-5-iodopyrazineHCID 760452232-(2,6-Dimethyl-morpholin-4-yl)-3,4-difluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde

Product 1

HCID 866145025-(5-Bromo-pyrazin-2-yl)-2-(2,6-dimethyl-morpholin-4-yl)-3,4-difluoro-benzaldehyde

Sources & evidence

ORD record
ord-16e7776e898a4f24b4f60dc91d564d8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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