Ethanol → 1-benzyl-5-(4-dibenzofuran-4-yl-phenyl)-3-nitro-1H-pyridin-2-one

HRID 1136226Notes

Reaction equation

HRID 1136226 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:18])[c:10]([N+:15](=[O:16])[O-:17])[cH:11][c:12]([Br:14])[cH:13]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][CH2:55][OH:56].[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[OH2:57].[cH:19]1[cH:20][cH:21][c:22](-[c:32]2[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]2)[c:23]2[o:24][c:25]3[c:26]([c:27]12)[cH:28][cH:29][cH:30][cH:31]3.[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:18])[c:10]([N+:15](=[O:16])[O-:17])[cH:11][c:12](-[c:35]2[cH:34][cH:33][c:32](-[c:22]3[cH:21][cH:20][cH:19][c:27]4[c:23]3[o:24][c:25]3[c:26]4[cH:28][cH:29][cH:30][cH:31]3)[cH:37][cH:36]2)[cH:13]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 596559621-benzyl-5-bromo-3-nitro-1H-pyridin-2-oneHCID 59655966(4-(Dibenzo[b,d]furan-4-yl)phenyl)boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 596559561-benzyl-5-(4-dibenzofuran-4-yl-phenyl)-3-nitro-1H-pyridin-2-one

Sources & evidence

ORD record
ord-d59eef475c4e4d0593a43fd727382c1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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