1-Methylpiperazine → 4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [2-methyl-4-(4-methyl-piperazin-1-yl)-phenyl]-amide

HRID 110208Notes

Reaction equation

HRID 110208 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16][cH:17]2)[c:18]2[n:19][cH:20][c:21](-[c:22]3[c:23]4[c:27]([n:28][c:29]([N:30]5[CH2:31][CH2:32][O:33][CH2:34][CH2:35]5)[n:36]3)[NH:26][CH2:25][CH2:24]4)[cH:37][n:38]2)[cH:39][cH:40]1.[CH3:41][c:42]1[cH:43][c:44]([N:45]2[CH2:46][CH2:47][N:48]([CH3:49])[CH2:50][CH2:51]2)[cH:52][cH:53][c:54]1[NH2:55].[CH3:56][N:57]1[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]1.[CH3:63][c:64]1[cH:65][cH:66][c:67]([N:68]2[CH2:69][CH2:70][O:71][CH2:72][CH2:73]2)[cH:74][c:75]1[NH2:76].[CH3:77][c:78]1[c:79]([NH:91][C:92](=[O:93])[N:94]2[CH2:95][CH2:96][c:97]3[c:98]2[n:99][c:100]([N:128]2[CH2:129][CH2:130][O:131][CH2:132][CH2:133]2)[n:101][c:102]3-[c:103]2[cH:104][n:105][c:106]([N:109]([CH2:110][c:111]3[cH:112][cH:113][c:114]([O:115][CH3:116])[cH:117][cH:118]3)[CH2:119][c:120]3[cH:121][cH:122][c:123]([O:124][CH3:125])[cH:126][cH:127]3)[n:107][cH:108]2)[cH:80][cH:81][c:82]([N:84]2[CH2:85][CH2:86][N:87]([CH3:90])[CH2:88][CH2:89]2)[cH:83]1>>[CH3:77][c:78]1[c:79]([NH:91][C:92](=[O:93])[N:94]2[CH2:95][CH2:96][c:97]3[c:98]2[n:99][c:100]([N:128]2[CH2:129][CH2:130][O:131][CH2:132][CH2:133]2)[n:101][c:102]3-[c:103]2[cH:104][n:105][c:106]([NH2:109])[n:107][cH:108]2)[cH:80][cH:81][c:82]([N:84]2[CH2:85][CH2:86][N:87]([CH3:90])[CH2:88][CH2:89]2)[cH:83]1

Participants

6

Reactant 5

HCID 531671-MethylpiperazineHCID 21168682-Methyl-4-(4-methylpiperazin-1-yl)anilineHCID 392386232-Methyl-5-morpholinoanilineHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 866401354-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [2-methyl-4-(4-methyl-piperazin-1-yl)-phenyl]-amide

Product 1

HCID 592448984-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [2-methyl-4-(4-methyl-piperazin-1-yl)-phenyl]-amide

Sources & evidence

ORD record
ord-3020495d52db4b90a05880a46b486f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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