Sodium ion → 3-methyl-5-(4-(oxetan-2-yl)pyridin-3-yl)benzo[d]oxazol-2(3H)-one

HRID 2349473Notes

Reaction equation

HRID 2349473 reaction equation
[Br:21][c:22]1[cH:23][n:24][cH:25][cH:26][c:27]1[CH:28]1[O:29][CH2:30][CH2:31]1.[C:32](=[O:33])([O-:34])[O-:35].[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+:36].[Na+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]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][cH:26][c:27]1[CH:28]1[O:29][CH2:30][CH2:31]1)[cH:9][cH:10]2

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 595350693-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(3H)-benzoxazoloneHCID 667870223-Bromo-4-(oxetan-2-YL)pyridine

Product 1

HCID 498023073-methyl-5-(4-(oxetan-2-yl)pyridin-3-yl)benzo[d]oxazol-2(3H)-one

Sources & evidence

ORD record
ord-88dbcbf17ffa44b5a95b0228b5bf0185
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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