Sodium ion → 5-Bromo-3-(4-fluorophenyl)pyrazin-2-amine

HRID 701663Notes

Reaction equation

HRID 701663 reaction equation
[Br:1][c:2]1[c:3]([NH2:9])[n:4][cH:5][c:6]([Br:8])[n:7]1.[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[Na+:10].[Na+:11].[O-:12][C:13](=[O:14])[O-:15].[OH2:32].[OH:16][B:17]([OH:18])[c:19]1[cH:20][cH:21][c:22]([F:23])[cH:24][cH:25]1.[Pd:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[c:2]1(-[c:19]2[cH:20][cH:21][c:22]([F:23])[cH:24][cH:25]2)[c:3]([NH2:9])[n:4][cH:5][c:6]([Br:8])[n:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 2856454-Fluorophenylboronic acidHCID 6200042-Amino-3,5-dibromopyrazine

Product 1

HCID 714639895-Bromo-3-(4-fluorophenyl)pyrazin-2-amine

Sources & evidence

ORD record
ord-e0060458afb64cc5bcff575d0c905993
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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