Sodium ion → HCID 178421854, compound

HRID 2311539Notes

Reaction equation

HRID 2311539 reaction equation
[CH3:144][O:145][CH2:146][CH2:147][O:148][CH3:149].[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH3:70][CH:71]1[CH2:72][C:73]2([O:74][CH2:75][CH2:76][O:77]2)[CH2:78][CH2:79][CH:80]1[NH2:81].[CH3:82][CH2:83][O:84][C:85]([CH3:86])=[O:87].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:16]#[N:17])[c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]([F:15])[cH:12][c:13]3[c:14]12.[Na+:69].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[cH:18]1[cH:19][cH:20][c:21]([P:22]([c:23]2[cH:24][cH:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[c:32]2-[c:33]2[c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41][c:42]2[P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1>>[c:2]1([NH:81][CH:80]2[CH:71]([CH3:70])[CH2:72][C:73]3([O:74][CH2:75][CH2:76][O:77]3)[CH2:78][CH2:79]2)[n:3][cH:4][c:5]([C:16]#[N:17])[c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]([F:15])[cH:12][c:13]3[c:14]12

Participants

10

Reactant 9

HCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 591984921-chloro-8-fluoro-5H-pyrido[4,3-b]indole-4-carbonitrileHCID 592994067-Methyl-1,4-dioxaspiro[4.5]decan-8-amine

Product 1

HCID 178421854HCID 178421854, compound

Sources & evidence

ORD record
ord-cf08ea4d96984eb78a41975b3230704c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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