Sodium ion → HCID 10194087, compound

HRID 1214423Notes

Reaction equation

HRID 1214423 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([O:23][CH3:24])[cH:10][c:11](-[c:14]3[o:15][c:16]4[c:17]([n:18]3)[cH:19][cH:20][cH:21][cH:22]4)[cH:12][cH:13]2)[n:7]1.[CH2:25]1[CH2:26][O:27][CH2:28][CH2:29][NH:30]1.[CH3:77][C:78]([CH3:79])([O-:80])[CH3:81].[Na+:82].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[c:2]1([N:30]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([O:23][CH3:24])[cH:10][c:11](-[c:14]3[o:15][c:16]4[c:17]([n:18]3)[cH:19][cH:20][cH:21][cH:22]4)[cH:12][cH:13]2)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 8083MorpholineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 103093892-[4-(6-Bromopyridin-2-yl)-3-methoxyphenyl]-1,3-benzoxazole

Product 1

HCID 10194087HCID 10194087, compound

Sources & evidence

ORD record
ord-0894ffe8dfac450a900d3c44254c6362
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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