Toluene → HCID 68724345, compound

HRID 2326536Notes

Reaction equation

[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1.[CH2:27]1[CH2:28][O:29][CH2:30][CH2:31][NH:32]1.[CH3:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:79].[Pd:80].[cH:33]1[cH:34][cH:35][c:36]([P:37]([c:38]2[cH:39][cH:40][c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[c:47]2-[c:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[cH:55][cH:56][c:57]2[P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[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)[cH:77][cH:78]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([N:32]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1

Participants

Reactant 6

HCID 1140Toluene

HCID 8083Morpholine

HCID 23938Palladium2×

HCID 95417Dibenzylidene acetone3×

HCID 634876Binap, (A+-)-

HCID 687239233-[1-(4-Bromophenyl)ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one

Product 1

HCID 68724345HCID 68724345, compound

Sources & evidence

ORD record: ord-93a33373f5d2473bb2e8063df40725c5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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