Potassium Cation → 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-1H-quinolin-4-one

HRID 116331Notes

Reaction equation

HRID 116331 reaction equation
[Br:33][c:34]1[c:35]([CH3:54])[c:36](-[c:40]2[cH:41][nH:42][c:43]3[cH:44][c:45]([N:51]([CH3:52])[CH3:53])[cH:46][cH:47][c:48]3[c:49]2=[O:50])[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](-[c:40]3[cH:41][nH:42][c:43]4[cH:44][c:45]([N:51]([CH3:52])[CH3:53])[cH:46][cH:47][c:48]4[c:49]3=[O:50])[cH:37][cH:38][cH:39]2)[cH:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 574241463-(3-Bromo-2-methyl-phenyl)-7-dimethylamino-1H-quinolin-4-oneHCID 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-one

Product 1

HCID 441826507-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-1H-quinolin-4-one

Sources & evidence

ORD record
ord-6e1b4d825f9a4282a4f0da55b16a0c8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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