Potassium Cation → 3'-(3-Chloro-4-fluorophenyl)-4-(1-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

HRID 102017

Reaction equation

HRID 102017 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][N:39]([CH3:40])[C:41](=[O:42])[CH3:43].[Cl:12][c:13]1[c:14]([N:19]2[CH2:20][CH2:21][N:22]([CH2:25][c:26]3[cH:27][n:28][n:29]([CH3:31])[cH:30]3)[CH2:23][CH2:24]2)[n:15][cH:16][cH:17][n:18]1.[Cl:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][c:7]1[F:8].[K+:36].[K+:37].[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4](-[c:13]2[c:14]([N:19]3[CH2:20][CH2:21][N:22]([CH2:25][c:26]4[cH:27][n:28][n:29]([CH3:31])[cH:30]4)[CH2:23][CH2:24]3)[n:15][cH:16][cH:17][n:18]2)[cH:5][cH:6][c:7]1[F:8]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 27346603-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)HCID 866416573'-Chloro-4-(1-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

Product 1

HCID 593219583'-(3-Chloro-4-fluorophenyl)-4-(1-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Sources & evidence

ORD record
ord-ef58dce07626476297f0735b7bf14ce7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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