Acetonitrile → HCID 178499206, compound

HRID 2339029Notes

Reaction equation

HRID 2339029 reaction equation
[CH3:15][O:16][C:17](=[O:18])[C:19]1([O:28][CH3:29])[C:20]([OH:27])=[CH:21][C:22](=[O:26])[CH:23]([CH3:25])[CH2:24]1.[CH3:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[n:10]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:40][C:41]#[N:42].[K:37][C:38]#[N:39]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[C:21]2=[C:20]([OH:27])[C:19]([C:17]([O:16][CH3:15])=[O:18])([O:28][CH3:29])[CH2:24][CH:23]([CH3:25])[C:22]2=[O:26])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[n:10]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 27756752-Methyl-6-(trifluoromethyl)nicotinoyl chlorideHCID 18755506Methyl 2-hydroxy-1-methoxy-5-methyl-4-oxocyclohex-2-enecarboxylateHCID 178511842HCID 178511842, compound

Product 1

HCID 178499206HCID 178499206, compound

Sources & evidence

ORD record
ord-d229d578b1b949dd90aecb261b6af8b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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