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Chloride → 2-[(2-chloro-phenyl)-hydroxy-methyl]-3-(2-methylsulfanyl-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-one

HRID 2338335
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HRID 2338335 반응식
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH:20]([Mg+:21])([CH3:22])[CH3:23].[Cl-:19].[Cl:24][c:25]1[c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31][cH:32]1.[I:1][c:2]1[c:3](-[c:11]2[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]2)[n:4]2[n:5]([c:9]1=[O:10])[CH2:6][CH2:7][CH2:8]2>>[c:2]1([CH:27]([c:26]2[c:25]([Cl:24])[cH:32][cH:31][cH:30][cH:29]2)[OH:28])[c:3](-[c:11]2[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]2)[n:4]2[n:5]([c:9]1=[O:10])[CH2:6][CH2:7][CH2:8]2
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참가 물질

6

반응물 5

HCID 312ChlorideHCID 69962-ChlorobenzaldehydeHCID 8028TetrahydrofuranHCID 575317902-iodo-3-(2-methylsulfanyl-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-oneHCID 178461726HCID 178461726, 화합물

생성물 1

HCID 575317942-[(2-chloro-phenyl)-hydroxy-methyl]-3-(2-methylsulfanyl-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-one

출처 및 근거

ORD 기록
ord-162d83911ecb4ba28be197cd2ffeff9d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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