3,3,5,5-Tetramethylcyclohexanone → HCID 68654575, compound

HRID 2333746Notes

Reaction equation

HRID 2333746 reaction equation
[CH3:19][C:20]1([CH3:29])[CH2:21][C:22](=[O:28])[CH2:23][C:24]([CH3:26])([CH3:27])[CH2:25]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[cH:7][cH:8]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)=[C:22]2[CH2:21][C:20]([CH3:19])([CH3:29])[CH2:25][C:24]([CH3:26])([CH3:27])[CH2:23]2)[cH:7][cH:8]1

Participants

3

Reactant 2

HCID 843993,3,5,5-TetramethylcyclohexanoneHCID 108683214-(4-Methoxybenzoyl)benzonitrile

Product 1

HCID 68654575HCID 68654575, compound

Sources & evidence

ORD record
ord-455b0392e2eb4775a01ddb2e74f237a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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