Ethanol → methyl 4-(3-(4-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)pyrazin-2-yl)benzoate

HRID 1125551Notes

Reaction equation

HRID 1125551 reaction equation
[CH3:22][O:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:41][CH2:42][OH:43].[CH3:76][OH:77].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[c:16]([CH3:21])[n:17][n:18]([CH3:20])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([CH2:49][NH:50][CH2:51][P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([C:24]([O:23][CH3:22])=[O:25])[cH:31][cH:30]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[c:16]([CH3:21])[n:17][n:18]([CH3:20])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 887MethanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27343694-Methoxycarbonylphenylboronic acidHCID 16217501N,N-Bis(diphenylphosphanyl)methylamineHCID 866416563'-Chloro-4-(1,3-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

Product 1

HCID 59321827methyl 4-(3-(4-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)pyrazin-2-yl)benzoate

Sources & evidence

ORD record
ord-ca942b1f2a9c4a139ddc20c328b87ba7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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