Acetate → 3'-(4-Isopropoxyphenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid t-butyl ester

HRID 177679Notes

Reaction equation

HRID 177679 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1.[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH2:59]([OH:60])[CH2:61][CH3:62].[CH:21]([CH3:22])([CH3:23])[O:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[OH2:63].[Pd+2:68].[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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2-[c:28]2[cH:27][cH:26][c:25]([O:24][CH:21]([CH3:22])[CH3:23])[cH:30][cH:29]2)[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 36987264-Isopropoxybenzeneboronic acidHCID 11150691Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

Product 1

HCID 687371373'-(4-Isopropoxyphenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid t-butyl ester

Sources & evidence

ORD record
ord-361cd0ba289f4470933595188e07b49b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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