1-Methylpiperazine → Diethyl (4-{[4-{[2-methyl-7-(4-methylpiperazin-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

HRID 1148532Notes

Reaction equation

HRID 1148532 reaction equation
[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:44]([F:45])([F:46])[F:47])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([N:33]5[CH2:34][CH2:35][N:36]([C:39](=[O:40])[CH3:41])[CH2:37][CH2:38]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:42])[C:26]4=[O:43])[n:22]2)[cH:14][cH:15]1.[CH2:48]([O:49][P:50]([CH2:51][c:52]1[cH:53][cH:54][c:55]([NH:56][c:57]2[n:58][c:59]([NH:60][c:61]3[cH:62][cH:63][c:64]([Br:65])[c:66]4[c:67]3[C:68](=[O:69])[N:70]([CH3:71])[CH2:72]4)[c:73]([C:74]([F:75])([F:76])[F:77])[cH:78][n:79]2)[cH:80][cH:81]1)(=[O:82])[O:83][CH2:84][CH3:85])[CH3:86].[CH3:87][N:88]1[CH2:89][CH2:90][NH:91][CH2:92][CH2:93]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:44]([F:45])([F:46])[F:47])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([N:33]5[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:42])[C:26]4=[O:43])[n:22]2)[cH:14][cH:15]1

Participants

4

Reactant 3

HCID 531671-MethylpiperazineHCID 58292897Diethyl [4-({4-[(7-bromo-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5(trifluoromethyl)pyrimidin-2-yl}amino)benzyl]phosphonateHCID 58293044Diethyl (4-{[4-{[7-(4-acetyl piperazin-1-yl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Product 1

HCID 58292886Diethyl (4-{[4-{[2-methyl-7-(4-methylpiperazin-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

Sources & evidence

ORD record
ord-523b716d01fa488589cd7a80ca9906c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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