Sodium ion → HCID 59699754, compound

HRID 1563226Notes

Reaction equation

HRID 1563226 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[cH:9][c:10]2[I:11].[C:36](=[O:37])([O-:38])[O-:39].[CH3:22][O:23][c:24]1[c:25]([B:30]([OH:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]1.[CH3:33][C:34]#[N:35].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Na+:40].[Na+:41].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[cH:9][c:10]2-[c:25]1[c:24]([O:23][CH3:22])[cH:29][cH:28][cH:27][cH:26]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27339582-Methoxyphenylboronic acidHCID 497590665-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 59699754HCID 59699754, compound

Sources & evidence

ORD record
ord-996fe9ea3231405ebe761aae0b37c72a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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