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Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine → [4-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

HRID 88143
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HRID 88143 반응식
[Br:41][c:42]1[cH:43][cH:44][c:45]([C:46]([N:47]2[CH2:48][CH2:49][N:50]([CH2:51][CH2:52][OH:53])[CH2:54][CH2:55]2)=[O:56])[cH:57][c:58]1[CH3:59].[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.[CH3:60][O:61][c:62]1[cH:63][cH:64][c:65]([CH2:66][N:67]([c:68]2[n:69][cH:70][c:71](-[c:74]3[c:75]4[c:76]([n:77][c:78]([N:80]5[CH2:81][CH2:82][O:83][CH2:84][CH2:85]5)[n:79]3)[N:86]([c:89]3[c:90]([CH3:106])[cH:91][c:92]([C:95](=[O:96])[N:97]5[CH2:98][CH2:99][N:100]([CH2:103][CH2:104][OH:105])[CH2:101][CH2:102]5)[cH:93][cH:94]3)[CH2:87][CH2:88]4)[cH:72][n:73]2)[CH2:107][c:108]2[cH:109][cH:110][c:111]([O:112][CH3:113])[cH:114][cH:115]2)[cH:116][cH:117]1>>[NH2:67][c:68]1[n:69][cH:70][c:71](-[c:74]2[c:75]3[c:76]([n:77][c:78]([N:80]4[CH2:81][CH2:82][O:83][CH2:84][CH2:85]4)[n:79]2)[N:86]([c:89]2[c:90]([CH3:106])[cH:91][c:92]([C:95](=[O:96])[N:97]4[CH2:98][CH2:99][N:100]([CH2:103][CH2:104][OH:105])[CH2:101][CH2:102]4)[cH:93][cH:94]2)[CH2:87][CH2:88]3)[cH:72][n:73]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 67385521[4-(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl)-3-methyl-phenyl]-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanoneHCID 67386264(4-Bromo-3-methyl-phenyl)-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone

생성물 1

HCID 59244361
[4-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-8e53535708d642cda93fed25c2e52270
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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