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

HRID 1237582Notes

Reaction equation

HRID 1237582 reaction equation
[CH2:17]([N:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1)[CH3:24].[CH2:1]([N:2]1[CH2:3][CH2:4][N:5]([c:6]2[cH:7][cH:8][c:9]([CH3:10])[c:11]([NH2:12])[cH:13]2)[CH2:14][CH2:15]1)[CH3:16].[CH2:79]([CH3:80])[N:81]1[CH2:82][CH2:83][N:84]([c:87]2[cH:88][cH:89][c:90]([CH3:136])[c:91]([NH:93][C:94](=[O:95])[N:96]3[CH2:97][CH2:98][c:99]4[c:100]3[n:101][c:102]([N:130]3[CH2:131][CH2:132][O:133][CH2:134][CH2:135]3)[n:103][c:104]4-[c:105]3[cH:106][n:107][c:108]([N:111]([CH2:112][c:113]4[cH:114][cH:115][c:116]([O:117][CH3:118])[cH:119][cH:120]4)[CH2:121][c:122]4[cH:123][cH:124][c:125]([O:126][CH3:127])[cH:128][cH:129]4)[n:109][cH:110]3)[cH:92]2)[CH2:85][CH2:86]1.[CH3:25][c:26]1[cH:27][cH:28][c:29]([N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[cH:36][c:37]1[NH2:38].[CH3:39][O:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][N:46]([CH2:47][c:48]2[cH:49][cH:50][c:51]([O:52][CH3:53])[cH:54][cH:55]2)[c:56]2[n:57][cH:58][c:59](-[c:60]3[c:61]4[c:65]([n:66][c:67]([N:68]5[CH2:69][CH2:70][O:71][CH2:72][CH2:73]5)[n:74]3)[NH:64][CH2:63][CH2:62]4)[cH:75][n:76]2)[cH:77][cH:78]1>>[CH2:79]([CH3:80])[N:81]1[CH2:82][CH2:83][N:84]([c:87]2[cH:88][cH:89][c:90]([CH3:136])[c:91]([NH:93][C:94](=[O:95])[N:96]3[CH2:97][CH2:98][c:99]4[c:100]3[n:101][c:102]([N:130]3[CH2:131][CH2:132][O:133][CH2:134][CH2:135]3)[n:103][c:104]4-[c:105]3[cH:106][n:107][c:108]([NH2:111])[n:109][cH:110]3)[cH:92]2)[CH2:85][CH2:86]1

Participants

6

Reactant 5

HCID 791961-EthylpiperazineHCID 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 629105465-(4-Ethyl-1-piperazinyl)-2-methylbenzenamineHCID 866401334-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [5-(4-ethyl-piperazin-1-yl)-2-methyl-phenyl]-amide

Product 1

HCID 592443284-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [5-(4-ethyl-piperazin-1-yl)-2-methyl-phenyl]-amide

Sources & evidence

ORD record
ord-6505dea492174f9e91bf99ad3763baa0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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