Hexane → 1-(Cyclopropylmethyl)cyclobutane-1-carboxylic acid

HRID 1214941Notes

Reaction equation

HRID 1214941 reaction equation
[Br:8][CH2:9][CH:10]1[CH2:11][CH2:12]1.[C:45]([Si:46]([O:47][CH:48]([C:49]1([CH2:50][CH:51]2[CH2:52][CH2:53]2)[CH2:54][CH2:55][CH2:56]1)[C:57]#[CH:58])([CH3:59])[CH3:60])([CH3:61])([CH3:62])[CH3:63].[C:64]([Si:65]([CH3:66])([CH3:67])[O:68][CH:69]([C:70]1([CH2:71][CH:72]2[CH2:73][CH2:74]2)[CH2:75][CH2:76][CH2:77]1)[C:78]#[C:79][CH2:80][OH:81])([CH3:82])([CH3:83])[CH3:84].[CH3:85][CH2:86][O:87][C:88]([CH3:89])=[O:90].[CH3:91][CH2:92][CH2:93][CH2:94][CH2:95][CH3:96].[CH:13]1([CH2:14][C:15]2([CH2:16][OH:17])[CH2:18][CH2:19][CH2:20]2)[CH2:21][CH2:22]1.[CH:1]1([C:5](=[O:6])[OH:7])[CH2:2][CH2:3][CH2:4]1.[CH:23]1([CH2:24][C:25]2([CH:26]=[O:27])[CH2:28][CH2:29][CH2:30]2)[CH2:31][CH2:32]1.[CH:33]1([CH2:34][C:35]2([CH:36]([OH:37])[C:38]#[CH:39])[CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44]1>>[C:1]1([C:5](=[O:6])[OH:7])([CH2:9][CH:10]2[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4]1

Participants

10

Reactant 9

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 19494Cyclobutanecarboxylic acidHCID 81503BromomethylcyclopropaneHCID 668888844-{[Tert-butyl(dimethyl)silyl]oxy}-4-[1-(cyclopropylmethyl) cyclobutyl]but-2-yn-1-olHCID 66889412[1-(Cyclopropylmethyl)cyclobutyl]methanolHCID 858257911-(Cyclopropylmethyl)cyclobutane-1-carbaldehydeHCID 867606171-[1-(Cyclopropylmethyl)cyclobutyl]prop-2-yn-1-olHCID 86760618Tert-butyl({1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynyl}oxy) dimethylsilane

Product 1

HCID 450847861-(Cyclopropylmethyl)cyclobutane-1-carboxylic acid

Sources & evidence

ORD record
ord-a40bcaad21cd4469b0a653e8777f327e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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