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-5-(4-methyl-piperazin-1-yl)-phenyl]-amide

HRID 1116454Notes

Reaction equation

HRID 1116454 reaction equation
[CH3:16][N:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([N:6]2[CH2:7][CH2:8][N:9]([CH3:10])[CH2:11][CH2:12]2)[cH:13][c:14]1[NH2:15].[CH3:23][c:24]1[cH:25][cH:26][c:27]([N:28]2[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[cH:34][c:35]1[NH2:36].[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]([CH2:43][N:44]([CH2:45][c:46]2[cH:47][cH:48][c:49]([O:50][CH3:51])[cH:52][cH:53]2)[c:54]2[n:55][cH:56][c:57](-[c:58]3[c:59]4[c:63]([n:64][c:65]([N:66]5[CH2:67][CH2:68][O:69][CH2:70][CH2:71]5)[n:72]3)[NH:62][CH2:61][CH2:60]4)[cH:73][n:74]2)[cH:75][cH:76]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]([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][c:81]([N:84]2[CH2:85][CH2:86][N:87]([CH3:90])[CH2:88][CH2:89]2)[cH:82][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][c:81]([N:84]2[CH2:85][CH2:86][N:87]([CH3:90])[CH2:88][CH2:89]2)[cH:82][cH:83]1

Participants

6

Reactant 5

HCID 531671-MethylpiperazineHCID 249941402-Methyl-5-(4-methylpiperazin-1-yl)benzenamineHCID 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 866401324-{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-5-(4-methyl-piperazin-1-yl)-phenyl]-amide

Product 1

HCID 592448654-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [2-methyl-5-(4-methyl-piperazin-1-yl)-phenyl]-amide

Sources & evidence

ORD record
ord-a99348852b4441ca8c4099dd56ff2442
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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