Sodium ion → 5-[2-Methyl-4-(methylthio)phenyl]-2-pyrazinamine

HRID 2123783Notes

Reaction equation

HRID 2123783 reaction equation
[Br:13][c:14]1[n:15][cH:16][c:17]([NH2:20])[n:18][cH:19]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][c:2]1[c:3]([B:10]([OH:11])[OH:12])[cH:4][cH:5][c:6]([S:8][CH3:9])[cH:7]1.[CH3:21][O:22][CH2:23][CH2:24][O:25][CH3:26].[Cl:75][CH2:76][Cl:77].[Na+:31].[Na+:32].[OH2:74].[Pd:33]([Cl:34])[Cl:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[CH3:1][c:2]1[c:3](-[c:14]2[n:15][cH:16][c:17]([NH2:20])[n:18][cH:19]2)[cH:4][cH:5][c:6]([S:8][CH3:9])[cH:7]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 5995392-Amino-5-bromopyrazineHCID 225912982-Methyl-4-methylthiophenylboronic acid

Product 1

HCID 666726405-[2-Methyl-4-(methylthio)phenyl]-2-pyrazinamine

Sources & evidence

ORD record
ord-3e4df28745bb431cba99b1ccc3345a88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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