Tetrahydrofuran → 2-[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-4H-3,1-benzoxazine-6-carbonitrile

HRID 141397Notes

Reaction equation

HRID 141397 reaction equation
[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([C:26]([F:27])([F:28])[F:29])[cH:11][c:12]2-[c:13]2[n:14][c:15]3[c:16]([c:17](=[O:19])[o:18]2)[cH:20][c:21]([I:25])[cH:22][c:23]3[CH3:24])[n:4][cH:5][cH:6][cH:7]1.[Cu:30][C:31]#[N:32].[Cu:44][I:45].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([C:26]([F:27])([F:28])[F:29])[cH:11][c:12]2-[c:13]2[n:14][c:15]3[c:16]([c:17](=[O:19])[o:18]2)[cH:20][c:21]([C:31]#[N:32])[cH:22][c:23]3[CH3:24])[n:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 184469312-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazin-4-oneHCID 178418546HCID 178418546, compound

Product 1

HCID 668578402-[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-4H-3,1-benzoxazine-6-carbonitrile

Sources & evidence

ORD record
ord-99b8c0c2fb6e481e9170323f8ec807e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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