3,7-Dimethyl-6-octenyl 2-oxopentanoate → 3,7-Dimethylocta-2,6-dienyl 2-cyclohexyl-2-oxoacetate
Reaction equation
[C:92]([c:93]1[cH:94][cH:95][c:96]([C:97](=[O:98])[C:99]([O:100][CH2:101][CH2:102][CH:103]([CH3:104])[CH2:105][CH2:106][CH:107]=[C:108]([CH3:109])[CH3:110])=[O:111])[cH:112][cH:113]1)(=[O:114])[CH3:115].[CH3:17][CH:18]([CH2:19][CH3:20])[C:21](=[O:22])[C:23]([O:24][CH2:25][CH2:26][CH:27]([CH3:28])[CH2:29][CH2:30][CH:31]=[C:32]([CH3:33])[CH3:34])=[O:35].[CH3:1][CH:2]([CH2:3][CH2:4][CH:5]=[C:6]([CH3:7])[CH3:8])[CH2:9][CH2:10][CH2:11][C:12](=[O:13])[C:14]([O-:15])=[O:16].[CH3:54][CH:55]([CH2:56][CH2:57][CH:58]=[C:59]([CH3:60])[CH3:61])[CH2:62][CH2:63][CH:64]([CH3:65])[C:66](=[O:67])[C:68]([O-:69])=[O:70].[CH:71]1([C:77]([C:78](=[O:79])[O:80][CH2:81][CH2:82][CH:83]([CH2:84][CH2:85][CH:86]=[C:87]([CH3:88])[CH3:89])[CH3:90])=[O:91])[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[O:116]=[C:117]([c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[C:124]([O:125][CH2:126][CH2:127][CH:128]([CH3:129])[CH2:130][CH2:131][CH:132]=[C:133]([CH3:134])[CH3:135])=[O:136].[O:36]=[C:37]([CH2:38][CH2:39][CH3:40])[C:41]([O:42][CH2:43][CH2:44][CH:45]([CH3:46])[CH2:47][CH2:48][CH:49]=[C:50]([CH3:51])[CH3:52])=[O:53]>>[CH:71]1([C:77]([C:78](=[O:79])[O:80][CH2:81][CH:82]=[C:83]([CH2:84][CH2:85][CH:86]=[C:87]([CH3:88])[CH3:89])[CH3:90])=[O:91])[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1Participants
8
Reactant 7
HCID 129651833,7-Dimethyl-6-octenyl 2-oxopentanoate
HCID 129651843,7-Dimethyl-6-octenyl 3-methyl-2-oxopentanoate
HCID 129651883,7-Dimethyl-6-octenyl (cyclohexyl)oxoacetate
HCID 129781333,7-Dimethyl-6-octenyl oxo(phenyl)acetate
HCID 129781343,7-Dimethyl-6-octenyl (4-acetylphenyl)oxoacetate
HCID 865836323,7-Dimethyl-6octenyl-2-oxopropanoate
HCID 865836333,7-Dimethyl-6octenyl-2-oxobutanoateProduct 1
Sources & evidence
- ORD record
- ord-729954b8b36842edb3aca6ad2b896f60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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