O-Xylene → HCID 66893928, compound

HRID 2320804Notes

Reaction equation

HRID 2320804 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:14][N:15]([CH2:16][CH2:17][NH2:18])[CH3:19].[Cs+:24].[Cs+:25].[I:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[cH:5][c:6]2[cH:7][cH:8][o:9][c:10]12.[O:28]=[C:29]([CH:30]=[CH:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Pd:26].[Pd:27].[c:82]1([CH3:83])[c:84]([CH3:85])[cH:86][cH:87][cH:88][cH:89]1>>[c:2]1([NH:18][CH2:17][CH2:16][N:15]([CH3:14])[CH3:19])[cH:3][c:4]([N+:11](=[O:12])[O-:13])[cH:5][c:6]2[cH:7][cH:8][o:9][c:10]12

Participants

8

Reactant 7

HCID 7237O-XyleneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 66053N,N-DimethylethylenediamineHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 21864764HCID 21864764, compound

Product 1

HCID 66893928HCID 66893928, compound

Sources & evidence

ORD record
ord-ed11905d998b4ed0aed7825b646c561a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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