Toluene → HCID 178436276, compound

HRID 1225239Notes

Reaction equation

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:26])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][CH2:23][CH2:24][OH:25])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH2:27]([CH2:28][CH2:40][CH3:41])[Sn:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH:38]=[CH2:39].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:95].[Pd:96].[cH:42]1[cH:43][cH:44][c:45]([P:46]([c:47]2[cH:48][cH:49][c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[c:56]2-[c:57]2[c:58]3[c:59]([cH:60][cH:61][cH:62][cH:63]3)[cH:64][cH:65][c:66]2[P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87]1>>[c:2]1([CH:27]=[CH2:28])[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:26])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][CH2:23][CH2:24][OH:25])[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

Reactant 6

HCID 1140Toluene

HCID 23938Palladium2×

HCID 81998Tributylvinyltin

HCID 95417Dibenzylidene acetone3×

HCID 634876Binap, (A+-)-

HCID 670197833-[1-(4-Bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one

Product 1

HCID 178436276HCID 178436276, compound

Sources & evidence

ORD record: ord-23e345429fc0427293ac1d25d27148a0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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