Dimethylformamide → ethyl 2-{4-[{[2-[2-(2,4-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]-acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}-2-methylpropanoate

HRID 296903Notes

Reaction equation

HRID 296903 reaction equation
[CH3:26][C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])([CH3:33])[N:34]1[CH2:35][CH2:36][CH:37]([NH:40][CH2:41][c:42]2[cH:43][cH:44][c:45](-[c:48]3[cH:49][cH:50][c:51]([O:54][C:55]([F:56])([F:57])[F:58])[cH:52][cH:53]3)[cH:46][cH:47]2)[CH2:38][CH2:39]1.[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[OH:25])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[n:20]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[P-:68]([F:69])([F:70])([F:71])([F:72])([F:73])[F:74].[n:75]1([O:76][C:77]([N:78]([CH3:79])[CH3:80])=[N+:81]([CH3:82])[CH3:83])[c:84]2[n:85][cH:86][cH:87][cH:88][c:89]2[n:90][n:91]1>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[N:40]([CH:37]3[CH2:36][CH2:35][N:34]([C:27]([CH3:26])([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH3:33])[CH2:39][CH2:38]3)[CH2:41][c:42]3[cH:43][cH:44][c:45](-[c:48]4[cH:49][cH:50][c:51]([O:54][C:55]([F:56])([F:57])[F:58])[cH:52][cH:53]4)[cH:46][cH:47]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[n:20]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58788245HCID 58788245, compoundHCID 59264607HCID 59264607, compound

Product 1

HCID 25008126ethyl 2-{4-[{[2-[2-(2,4-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]-acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}-2-methylpropanoate

Sources & evidence

ORD record
ord-6f1bfef4cdfb4ff59b09686c839395ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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