Potassium Cation → 6-Dimethylamino-2-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3,4-dihydro-2H-isoquinolin-1-one

HRID 1539317Notes

Reaction equation

HRID 1539317 reaction equation
[Br:33][c:34]1[c:35]([CH3:54])[c:36]([N:40]2[C:41](=[O:53])[c:42]3[cH:43][cH:44][c:45]([N:50]([CH3:51])[CH3:52])[cH:46][c:47]3[CH2:48][CH2:49]2)[cH:37][cH:38][cH:39]1.[CH3:1][n:2]1[c:3](=[O:32])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[K+:60].[K+:61].[K+:62].[P:55]([O-:56])([O-:57])([O-:58])=[O:59]>>[CH3:1][n:2]1[c:3](=[O:32])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:5][c:6](-[c:34]2[c:35]([CH3:54])[c:36]([N:40]3[C:41](=[O:53])[c:42]4[cH:43][cH:44][c:45]([N:50]([CH3:51])[CH3:52])[cH:46][c:47]4[CH2:48][CH2:49]3)[cH:37][cH:38][cH:39]2)[cH:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 592164661-Methyl-3-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-oneHCID 592164782-(3-Bromo-2-methyl-phenyl)-6-dimethylamino-3,4-dihydro-2H-isoquinolin-1-one

Product 1

HCID 441827976-Dimethylamino-2-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3,4-dihydro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-576e658061e44a4a89dbc59a8649d901
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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