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

HRID 136920Notes

Reaction equation

HRID 136920 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]([C:54]([F:55])([F:56])[F:57])[cH:52][cH:53]3)[cH:46][cH:47]2)[CH2:38][CH2:39]1.[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[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:91]=[CH:92][N:93]([CH3:94])[CH3:95].[P-:67]([F:68])([F:69])([F:70])([F:71])([F:72])[F:73].[n:74]1([O:75][C:76]([N:77]([CH3:78])[CH3:79])=[N+:80]([CH3:81])[CH3:82])[c:83]2[n:84][cH:85][cH:86][cH:87][c:88]2[n:89][n:90]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]([C:54]([F:55])([F:56])[F:57])[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 59264610HCID 59264610, compound

Product 1

HCID 25008125ethyl 2-[4-({[2-[2-(2,4-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]acetyl} {[4'-(trifluoromethyl)-4-biphenylyl]methyl}amino)-1-piperidinyl]-2-methylpropanoate

Sources & evidence

ORD record
ord-7ac41c34ed49429c9afad9ae8506f72a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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