Bicarbonate Ion → HCID 18470704, compound

HRID 318475Notes

Reaction equation

HRID 318475 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH3:16])[c:6]([Br:15])[nH:7][c:8]1-[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[OH2:43].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[n:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH3:16])[c:6](-[c:20]2[cH:19][cH:18][n:17][cH:22][cH:21]2)[nH:7][c:8]1-[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 2734379(Pyridin-4-yl)boronic acidHCID 18470770HCID 18470770, compound

Product 1

HCID 18470704HCID 18470704, compound

Sources & evidence

ORD record
ord-cac18a43950745c39e37dbfb2e29e73d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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