Sodium ion → 4-Fluoro-2-(1-methyl-5-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)-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 1201036Notes

Reaction equation

HRID 1201036 reaction equation
[C:32]([CH3:33])(=[O:34])[O:35][CH2:36][c:37]1[c:38]([Br:58])[cH:39][c:40]([F:57])[cH:41][c:42]1[N:43]1[C:44](=[O:56])[c:45]2[n:46]([c:47]3[c:52]([cH:53]2)[CH2:51][CH2:50][CH2:49][CH2:48]3)[CH2:54][CH2:55]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:1][n:2]1[c:3](=[O:31])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]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.[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[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>>[CH3:1][n:2]1[c:3](=[O:31])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:22][cH:23]2)[cH:5][c:6](-[c:38]2[c:37]([CH2:36][O:35][C:32]([CH3:33])=[O:34])[c:42]([N:43]3[C:44](=[O:56])[c:45]4[n:46]([c:47]5[c:52]([cH:53]4)[CH2:51][CH2:50][CH2:49][CH2:48]5)[CH2:54][CH2:55]3)[cH:41][c:40]([F:57])[cH:39]2)[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 580437641-methyl-3-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-oneHCID 580437762-bromo-4-fluoro-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl acetateHCID 178420554HCID 178420554, compound

Product 1

HCID 545969584-Fluoro-2-(1-methyl-5-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)-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-001ab1e22db74e3ba6936fcf9f6f115a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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