Sodium ion → 2-Chloro-4-morpholin-4-yl-7-pyrimidin-5-yl-quinazoline

HRID 292589

Reaction equation

HRID 292589 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:7][c:8]([Cl:12])[n:9][c:10]2[cH:11]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:80].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[n:19]1[cH:20][n:21][cH:22][c:23]([B:25]([OH:26])[OH:27])[cH:24]1>>[c:2]1(-[c:23]2[cH:22][n:21][cH:20][n:19][cH:24]2)[cH:3][cH:4][c:5]2[c:6]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:7][c:8]([Cl:12])[n:9][c:10]2[cH:11]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 866657584-(7-Bromo-2-chloroquinazolin-4-yl)morpholine

Product 1

HCID 866657592-Chloro-4-morpholin-4-yl-7-pyrimidin-5-yl-quinazoline

Sources & evidence

ORD record
ord-613803e63f2f49afb7997e22c1fecdeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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