Toluene → HCID 76688692, compound

HRID 2335687Notes

Reaction equation

HRID 2335687 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:18])[c:6]([C:8]2([CH3:17])[NH:9][C:10](=[O:16])[CH2:11][O:12][C:13]2([CH3:14])[CH3:15])[cH:7]1.[C:19]([P:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1-[c:31]1[c:32]([CH:33]([CH3:34])[CH3:35])[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]1[CH:43]([CH3:44])[CH3:45])([CH3:46])([CH3:47])[CH3:48].[C:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[NH:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:112](=[CH:113][C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)=[O:123])[c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[CH:70]([Cl:71])([Cl:72])[Cl:73].[CH:76](=[CH:77][C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)=[O:87])[c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[CH:94](=[CH:95][C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)=[O:105])[c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:74].[Pd:75]>>[c:2]1([N:62]=[C:49]([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:3][cH:4][c:5]([F:18])[c:6]([C:8]2([CH3:17])[NH:9][C:10](=[O:16])[CH2:11][O:12][C:13]2([CH3:14])[CH3:15])[cH:7]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 6212ChloroformHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 136809Benzophenone imineHCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneHCID 66931555HCID 66931555, compound

Product 1

HCID 76688692HCID 76688692, compound

Sources & evidence

ORD record
ord-f8ce33d75d954647bc1b2be4816fed11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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