Benzene → Ethyl 3-(2-chloro-4,4-dimethylcyclopenten-1-yl)prop-2-enoate

HRID 202084Notes

Reaction equation

HRID 202084 reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH2:11]([CH3:12])[O:13][C:14](=[O:15])[CH:16]=[P:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Cl:1][C:2]1=[C:3]([CH:9]=[O:10])[CH2:4][C:5]([CH3:7])([CH3:8])[CH2:6]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Cl:1][C:2]1=[C:3]([CH:9]=[CH:16][C:14]([O:13][CH2:11][CH3:12])=[O:15])[CH2:4][C:5]([CH3:7])([CH3:8])[CH2:6]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl esterHCID 866612412-Chloro-4,4-dimethylcyclopent-1-enecarbaldehyde

Product 1

HCID 123154843Ethyl 3-(2-chloro-4,4-dimethylcyclopenten-1-yl)prop-2-enoate

Sources & evidence

ORD record
ord-ad50a69a0735408188b9c1cb1f0dc314
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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