Toluene → HCID 67436789, compound

HRID 2331339Notes

Reaction equation

HRID 2331339 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:16][N:17]1[C:18](=[O:25])[NH:19][CH:20]2[CH:21]1[CH2:22][CH2:23][CH2:24]2.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cs+:30].[Cs+:31].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[c:41]3[c:65]([cH:66][cH:67][cH:68]2)[C:62]([CH3:63])([CH3:64])[c:44]2[c:43]([c:48]([P:49]([c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[cH:47][cH:46][cH:45]2)[O:42]3)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[c:2]1([N:19]2[C:18](=[O:25])[N:17]([CH3:16])[CH:21]3[CH:20]2[CH2:24][CH2:23][CH2:22]3)[n:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 1140TolueneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 57516737HCID 57516737, compoundHCID 59655249(3aRS,6aSR)-1-Methyl-hexahydro-cyclopentaimidazol-2-one

Product 1

HCID 67436789HCID 67436789, compound

Sources & evidence

ORD record
ord-b3a0eba7d878495ba514c7f426762062
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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