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Acetate → 3-Methoxy-6-((6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline

HRID 185255
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HRID 185255 반응식
[Br:1][c:2]1[cH:3][c:4]([CH3:7])[n:5][s:6]1.[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH:9]([Mg+:10])([CH3:11])[CH3:12].[Cl-:83].[Cl-:84].[Cl-:8].[I:13][c:14]1[cH:15][cH:16][c:17]2[n:18]([n:19]1)[c:20]([CH2:23][c:24]1[cH:25][c:26]3[cH:27][c:28]([O:34][CH3:35])[cH:29][n:30][c:31]3[cH:32][cH:33]1)[n:21][n:22]2.[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[Pd+2:86].[Zn+2:85].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[c:45]3[c:69]([cH:70][cH:71][cH:72]2)[C:66]([CH3:67])([CH3:68])[c:48]2[c:47]([c:52]([P:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:51][cH:50][cH:49]2)[O:46]3)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:2]1(-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([CH2:23][c:24]2[cH:25][c:26]4[cH:27][c:28]([O:34][CH3:35])[cH:29][n:30][c:31]4[cH:32][cH:33]2)[n:21][n:22]3)[cH:3][c:4]([CH3:7])[n:5][s:6]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175Acetate2회HCID 312Chloride3회HCID 8028TetrahydrofuranHCID 32051Zinc(2+)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6009595-Bromo-3-methylisothiazoleHCID 636044
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 866302786-((6-Iodo-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-3-methoxyquinoline
HCID 178461726HCID 178461726, 화합물

생성물 1

HCID 576910003-Methoxy-6-((6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline

출처 및 근거

ORD 기록
ord-644dbd1cc9fd46be83b633b251e471b3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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