Sodium Ion → (5-methyl-1H-pyrazol-3-yl)-(1-phenyl-isoquinolin-3-yl)-amine

Reaction equation

[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[n:14][nH:15][c:16]([CH3:18])[cH:17]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Na+:32].[Na+:33].[OH2:39].[OH:19][B:20]([OH:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[c:2]1(-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:3][c:4]([NH:12][c:13]2[n:14][nH:15][c:16]([CH3:18])[cH:17]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

Reactant 6

HCID 923Sodium Ion2×

HCID 962Water

HCID 6228Dimethylformamide

HCID 19660Carbonate Ion

HCID 66827Phenylboronic Acid

HCID 57799635(1-chloro-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine

Product 1

HCID 23633643(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-isoquinolin-3-yl)-amine

Sources & evidence

ORD record: ord-5a1adba497b44ff78e0bafa15298af79
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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