Sodium ion → HCID 86663361, compound

HRID 1229616Notes

Reaction equation

HRID 1229616 reaction equation
[Br:21][c:22]1[cH:23][n:24][cH:25][c:26]([F:30])[c:27]1[CH:28]=[O:29].[C:31](=[O:32])([O-:33])[O-:34].[CH3:1][n:2]1[c:3](=[O:20])[o:4][c:5]2[c:6]1[cH:7][c:8]([B:11]1[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]1)[cH:9][cH:10]2.[Na+:35].[Na+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[Pd:42]([Cl:43])[Cl:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[CH3:1][n:2]1[c:3](=[O:20])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:22]1[cH:23][n:24][cH:25][c:26]([F:30])[c:27]1[CH:28]=[O:29])[cH:9][cH:10]2

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 534291923-Bromo-5-fluoropyridine-4-carboxaldehydeHCID 595350693-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(3H)-benzoxazolone

Product 1

HCID 86663361HCID 86663361, compound

Sources & evidence

ORD record
ord-c91c849970a7413094d41b2449865c10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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