Potassium Cation → 4-(1,3-Dimethyl-1H-pyrazol-4-ylmethyl)-3'-(3-trifluoromethoxyphenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

HRID 2350667Notes

Reaction equation

HRID 2350667 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[Cl:15][c:16]1[c:17]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][c:29]3[c:30]([CH3:35])[n:31][n:32]([CH3:34])[cH:33]3)[CH2:26][CH2:27]2)[n:18][cH:19][cH:20][n:21]1.[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1)([F:13])[F:14].[K+:46].[K+:47].[OH2:125].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[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)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6](-[c:16]2[c:17]([N:22]3[CH2:23][CH2:24][N:25]([CH2:28][c:29]4[c:30]([CH3:35])[n:31][n:32]([CH3:34])[cH:33]4)[CH2:26][CH2:27]3)[n:18][cH:19][cH:20][n:21]2)[cH:7][cH:8][cH:9]1)([F:13])[F:14]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 27343853-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)HCID 866416563'-Chloro-4-(1,3-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazineHCID 178420554HCID 178420554, compound

Product 1

HCID 593217454-(1,3-Dimethyl-1H-pyrazol-4-ylmethyl)-3'-(3-trifluoromethoxyphenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

Sources & evidence

ORD record
ord-b985d90815104259b7eeb2eba9b5b589
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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