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Sodium Ion → ethyl 5-(bromomethyl)-3-[4-(cyclohexylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dihydroisoxazole-5-carboxylate

HRID 87681
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HRID 87681 반응식
[Br:26][CH2:27][C:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])=[CH2:34].[CH:1]1([NH:7][c:8]2[c:9]3[c:10]([n:11][cH:12][c:13]2[CH:14]=[N:15][OH:16])[n:17]([CH2:20][CH3:21])[n:18][cH:19]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:22]([Cl:23])([Cl:24])[Cl:25].[Cl:35][O-:36].[Cl:38][CH2:39][Cl:40].[Na+:37].[OH2:41]>>[CH:1]1([NH:7][c:8]2[c:9]3[c:10]([n:11][cH:12][c:13]2[C:14]2=[N:15][O:16][C:28]([CH2:27][Br:26])([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:34]2)[n:17]([CH2:20][CH3:21])[n:18][cH:19]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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반응물 7

HCID 923Sodium IonHCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 61739HypochloriteHCID 3106202-(Bromomethyl)acrylic acid ethyl esterHCID 866475994-cyclohexylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde oxime

생성물 1

HCID 66732635ethyl 5-(bromomethyl)-3-[4-(cyclohexylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dihydroisoxazole-5-carboxylate

출처 및 근거

ORD 기록
ord-57a943ed1af24bae8b432d3151fdd08f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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