Pyridine → Methyl 3-tert-butyl-5-cyanobenzoate

HRID 1144283Notes

Reaction equation

HRID 1144283 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[F:24][C:25]([F:26])([F:27])[C:28]([O:29][C:30](=[O:31])[C:32]([F:33])([F:34])[F:35])=[O:36].[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]1.[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1>>[N:1]#[C:2][c:4]1[cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 8028TetrahydrofuranHCID 9845Trifluoroacetic anhydrideHCID 24728008Methyl 3-tert-butyl-5-carbamoylbenzoate

Product 1

HCID 24729630Methyl 3-tert-butyl-5-cyanobenzoate

Sources & evidence

ORD record
ord-9b137e4db7514c42ae6087a16d097036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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