Sodium ion → Ceralasertib (AZD6738)

HRID 1541298Notes

Reaction equation

HRID 1541298 reaction equation
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl:1][c:2]1[n:3][c:4]([C:15]2([S:18](=[O:19])(=[NH:20])[CH3:21])[CH2:16][CH2:17]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[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.[nH:28]1[cH:29][cH:30][c:31]2[c:32]1[n:33][cH:34][cH:35][c:36]2[B:37]([OH:38])[OH:39]>>[c:2]1(-[c:36]2[c:31]3[cH:30][cH:29][nH:28][c:32]3[n:33][cH:34][cH:35]2)[n:3][c:4]([C:15]2([S:18](=[O:19])(=[NH:20])[CH3:21])[CH2:16][CH2:17]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 497589941H-Pyrrolo(2,3-b)pyridin-4-ylboronic acidHCID 178431484HCID 178431484, compound

Product 1

HCID 76189844Ceralasertib (AZD6738)

Sources & evidence

ORD record
ord-359c0f73053748c58592b8b4ffcdb944
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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