Acetonitrile → Methyl 2-methyl-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

HRID 702713

Reaction equation

[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:1][C:2]#[N:3].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][N:28]=[C:29]=[O:30].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:4][O:5][C:6](=[O:7])[C:8]1=[CH:13][O:12][CH:11]([OH:14])[CH:10]2[CH:9]1[CH2:17][CH:16]1[C:15]2([CH3:19])[O:18]1>>[CH3:4][O:5][C:6](=[O:7])[C:8]1=[CH:13][O:12][CH:11]([O:14][C:29]([NH:28][CH3:27])=[O:30])[CH:10]2[CH:9]1[CH2:17][CH:16]1[C:15]2([CH3:19])[O:18]1

Participants

Reactant 6

HCID 6342Acetonitrile

HCID 8058Hexane

HCID 8471Triethylamine

HCID 8857Ethyl Acetate

HCID 12228Methyl Isocyanate

HCID 20652174Methyl 10-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

Product 1

HCID 20652177Methyl 2-methyl-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

Sources & evidence

ORD record: ord-f96e2b08cfca49c591394a02a58c986a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Linked notes

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