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

HRID 121939Notes

Reaction equation

HRID 121939 reaction equation
[CH2:59]([N:60]1[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1)[CH3:66].[CH2:81]([CH3:82])[N:83]1[CH2:84][CH2:85][N:86]([C:89](=[O:90])[c:91]2[c:92]([CH3:140])[c:93]([NH:97][C:98](=[O:99])[N:100]3[CH2:101][CH2:102][c:103]4[c:104]3[n:105][c:106]([N:134]3[CH2:135][CH2:136][O:137][CH2:138][CH2:139]3)[n:107][c:108]4-[c:109]3[cH:110][n:111][c:112]([N:115]([CH2:116][c:117]4[cH:118][cH:119][c:120]([O:121][CH3:122])[cH:123][cH:124]4)[CH2:125][c:126]4[cH:127][cH:128][c:129]([O:130][CH3:131])[cH:132][cH:133]4)[n:113][cH:114]3)[cH:94][cH:95][cH:96]2)[CH2:87][CH2:88]1.[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.[CH3:67][c:68]1[cH:69][cH:70][c:71]([N:72]2[CH2:73][CH2:74][O:75][CH2:76][CH2:77]2)[cH:78][c:79]1[NH2:80].[NH2:41][c:42]1[c:43]([CH3:44])[c:45]([C:46]([N:47]2[CH2:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH2:54]2)=[O:55])[cH:56][cH:57][cH:58]1>>[CH2:81]([CH3:82])[N:83]1[CH2:84][CH2:85][N:86]([C:89](=[O:90])[c:91]2[c:92]([CH3:140])[c:93]([NH:97][C:98](=[O:99])[N:100]3[CH2:101][CH2:102][c:103]4[c:104]3[n:105][c:106]([N:134]3[CH2:135][CH2:136][O:137][CH2:138][CH2:139]3)[n:107][c:108]4-[c:109]3[cH:110][n:111][c:112]([NH2:115])[n:113][cH:114]3)[cH:94][cH:95][cH:96]2)[CH2:87][CH2:88]1

Participants

6

Reactant 5

HCID 791961-EthylpiperazineHCID 16795409HCID 16795409, compoundHCID 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 86640139HCID 86640139, compound

Product 1

HCID 592447534-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-(4-ethyl-piperazine-1-carbonyl)-2-methyl-phenyl]-amide

Sources & evidence

ORD record
ord-900b32ef13d44939a03689e76711b165
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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