Chloride → Benzyl 3-(1-acetyl-2-oxocyclohexyl)propanoate

HRID 166023

Reaction equation

HRID 166023 reaction equation
[C:11](=[O:12])([O-:13])[O-:14].[C:17]([CH:18]=[CH2:19])(=[O:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[C:1]([CH3:2])(=[O:3])[CH:4]1[C:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH2:9]1.[CH2:30]([N+:31]([CH2:32][CH3:33])([CH2:34][CH3:35])[CH2:36][CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl-:29].[K+:15].[K+:16]>>[C:1]([CH3:2])(=[O:3])[C:4]1([CH2:19][CH2:18][C:17](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[C:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 813Potassium Cation2×HCID 1140TolueneHCID 134002-AcetylcyclohexanoneHCID 17208BenzyltriethylammoniumHCID 19660Carbonate IonHCID 75617Benzyl acrylate

Product 1

HCID 19067480Benzyl 3-(1-acetyl-2-oxocyclohexyl)propanoate

Sources & evidence

ORD record
ord-0a257bcf726d469e8238190e5d00f47a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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