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

HRID 2151129Notes

Reaction equation

HRID 2151129 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.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]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

7

Reactant 6

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, compoundHCID 178420554HCID 178420554, 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-77f5cfaab0c942fe8dcd44e84553cd78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…