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1,4-Dioxane → 2-(1-((2-(imidazo[1,5-a]pyridin-8-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

HRID 116871
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HRID 116871 반응식
[Br:41][c:42]1[c:43]2[n:44]([cH:45][cH:46][cH:47]1)[cH:48][n:49][cH:50]2.[CH3:1][n:2]1[c:3]2[n:4][c:5]([Sn:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[n:6][c:7]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:8]2[n:9][c:10]1[CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([C:18]([CH3:19])([CH3:20])[OH:21])[CH2:16][CH2:17]1.[Cu+:142].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1.[s:134]1[cH:135][cH:136][cH:137][c:138]1[C:139]([O-:140])=[O:141]>>[CH3:1][n:2]1[c:3]2[n:4][c:5](-[c:42]3[c:43]4[n:44]([cH:45][cH:46][cH:47]3)[cH:48][n:49][cH:50]4)[n:6][c:7]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:8]2[n:9][c:10]1[CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([C:18]([CH3:19])([CH3:20])[OH:21])[CH2:16][CH2:17]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 312751,4-DioxaneHCID 104815Copper(1+)HCID 5017639Thiophene-2-carboxylateHCID 594686818-Bromoimidazo[1,5-a]pyridineHCID 596055362-(1-((9-Methyl-6-morpholino-2-(tributylstannyl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-olHCID 178420554HCID 178420554, 화합물

생성물

1
HCID 596056982-(1-((2-(imidazo[1,5-a]pyridin-8-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

출처 및 근거

ORD 기록
ord-76b0b572815e4e2181380a1dd64a8203
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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