Potassium Cation → N-(4-(1-(2-(dimethylamino)ethylamino)isoquinolin-5-yl)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

HRID 1141330Notes

Reaction equation

HRID 1141330 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([NH:12][CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:8]2[cH:9][cH:10][cH:11]1.[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[Cl:66][CH2:67][Cl:68].[K+:60].[K+:61].[O-:62][C:63]([O-:64])=[O:65].[OH2:69].[OH:18][C:19]([CH2:20][n:21]1[n:22](-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:23](=[O:45])[c:24]([C:27](=[O:28])[NH:29][c:30]2[cH:31][cH:32][c:33]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:34][cH:35]2)[c:25]1[CH3:26])([CH3:52])[CH3:53]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([NH:29][C:27]([c:24]3[c:23](=[O:45])[n:22](-[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[n:21]([CH2:20][C:19]([OH:18])([CH3:52])[CH3:53])[c:25]3[CH3:26])=[O:28])[cH:35][cH:34]2)[c:3]2[cH:4][cH:5][n:6][c:7]([NH:12][CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:8]2[cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 593839345-Bromo-N-(2-(dimethylamino)ethyl)isoquinolin-1-amineHCID 593839381-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2,3-dihydro-1H-pyrazole-4-carboxamide

Product 1

HCID 24999276N-(4-(1-(2-(dimethylamino)ethylamino)isoquinolin-5-yl)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-24993d1da1334da0a9c513c1b000b7c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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