Sodium ion → 2-(5-(5-(4-Ethylpiperazin-1-yl)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

HRID 152142Notes

Reaction equation

HRID 152142 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:25]([CH3:26])(=[O:27])[O:28][CH2:29][c:30]1[c:31]([N:45]2[C:46](=[O:58])[c:47]3[n:48]([c:49]4[c:54]([cH:55]3)[CH2:53][CH2:52][CH2:51][CH2:50]4)[CH2:56][CH2:57]2)[cH:32][cH:33][cH:34][c:35]1[B:36]1[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Cl:148][CH2:149][Cl:150].[Na+:63].[Na+:64].[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[c:2]1(-[c:35]2[c:30]([CH2:29][O:28][C:25]([CH3:26])=[O:27])[c:31]([N:45]3[C:46](=[O:58])[c:47]4[n:48]([c:49]5[c:54]([cH:55]4)[CH2:53][CH2:52][CH2:51][CH2:50]5)[CH2:56][CH2:57]3)[cH:32][cH:33][cH:34]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH2:22]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 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 580436465-Bromo-3-(5-(4-Ethylpiperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-oneHCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 670161652-(5-(5-(4-Ethylpiperazin-1-yl)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

Sources & evidence

ORD record
ord-b17afeea08674accb5f8de8268a14f23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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