Sodium ion → 7-tert-Butyl-3-(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 139237Notes

Reaction equation

HRID 139237 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[cH:30][cH:31][c:32]2[c:33](=[O:54])[c:34](-[c:39]3[cH:40][c:41]([B:45]4[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]4)[cH:42][cH:43][cH:44]3)[cH:35][nH:36][c:37]2[cH:38]1.[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[OH2:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:41]2[cH:40][c:39](-[c:34]3[c:33](=[O:54])[c:32]4[cH:31][cH:30][c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:38][c:37]4[nH:36][cH:35]3)[cH:44][cH:43][cH:42]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 574241447-tert-Butyl-3-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-quinolin-4-oneHCID 576627795-Bromo-1-methyl-3-((5-(morpholine-4-carbonyl)pyridin-2-yl)amino)pyridin-2(1H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 441827987-tert-Butyl-3-(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-23ec67bc61634be48a612db696db4dfc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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