Sodium ion → HCID 57990430, compound

HRID 672896Notes

Reaction equation

HRID 672896 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[Cl:1][c:2]1[n:3][c:4]([NH:22][CH3:23])[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2[I:11].[Na+:37].[Na+:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:45].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[n:24]1[cH:25][c:26]([B:30]([OH:31])[OH:32])[cH:27][cH:28][cH:29]1>>[Cl:1][c:2]1[n:3][c:4]([NH:22][CH3:23])[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2-[c:26]1[cH:25][n:24][cH:29][cH:28][cH:27]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27343783-Pyridinylboronic acidHCID 57990352HCID 57990352, compound

Product 1

HCID 57990430HCID 57990430, compound

Sources & evidence

ORD record
ord-71bf54a001ec44fd8df7a1b8264b88be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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