Chloride → 2-Pyrazinamine, 5-(2-thienyl)-

HRID 203231Notes

Reaction equation

HRID 203231 reaction equation
[CH3:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[CH3:31][CH2:32][OH:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl-:24].[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:8])[n:6][cH:7]1.[Na+:17].[Na+:18].[Na+:23].[O-:19][C:20](=[O:21])[O-:22].[OH2:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[s:9]1[c:10]([B:14]([OH:15])[OH:16])[cH:11][cH:12][cH:13]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:10]2[s:9][cH:13][cH:12][cH:11]2)[n:6][cH:7]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 702EthanolHCID 923Sodium ion3×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 5995392-Amino-5-bromopyrazineHCID 27339602-Thiopheneboronic acid

Product 1

HCID 116440152-Pyrazinamine, 5-(2-thienyl)-

Sources & evidence

ORD record
ord-6f8b7458cd73420988935c1477583998
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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