Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine → 4-(2-aminopyrimidin-5-yl)-N-[3-(4-ethylpiperazin-1-yl)phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
Reaction equation
[CH2:41]([N:42]1[CH2:43][CH2:44][N:45]([c:46]2[cH:47][c:48]([NH:49][CH3:50])[cH:51][cH:52][cH:53]2)[CH2:54][CH2:55]1)[CH3:56].[CH2:57]([CH3:58])[N:59]1[CH2:60][CH2:61][N:62]([c:65]2[cH:66][c:67]([N:71]([C:72](=[O:73])[N:74]3[CH2:75][CH2:76][c:77]4[c:78]3[n:79][c:80]([N:108]3[CH2:109][CH2:110][O:111][CH2:112][CH2:113]3)[n:81][c:82]4-[c:83]3[cH:84][n:85][c:86]([N:89]([CH2:90][c:91]4[cH:92][cH:93][c:94]([O:95][CH3:96])[cH:97][cH:98]4)[CH2:99][c:100]4[cH:101][cH:102][c:103]([O:104][CH3:105])[cH:106][cH:107]4)[n:87][cH:88]3)[CH3:114])[cH:68][cH:69][cH:70]2)[CH2:63][CH2:64]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>>[CH2:57]([CH3:58])[N:59]1[CH2:60][CH2:61][N:62]([c:65]2[cH:66][c:67]([N:71]([C:72](=[O:73])[N:74]3[CH2:75][CH2:76][c:77]4[c:78]3[n:79][c:80]([N:108]3[CH2:109][CH2:110][O:111][CH2:112][CH2:113]3)[n:81][c:82]4-[c:83]3[cH:84][n:85][c:86]([NH2:89])[n:87][cH:88]3)[CH3:114])[cH:68][cH:69][cH:70]2)[CH2:63][CH2:64]1Participants
4
Reactant 3
HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine
HCID 59244590[3-(4-Ethyl-piperazin-1-yl)-phenyl]-methyl-amine
HCID 1405471714-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-N-[3-(4-ethylpiperazin-1-yl)phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamideProduct 1
Sources & evidence
- ORD record
- ord-a5c3549f5b9a423faebe61b2cdf69e93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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