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1-Butanol → 4-methoxy-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

HRID 288406
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인쇄 미리보기

반응식

HRID 288406 반응식
[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH3:1][O:2][c:3]1[c:4]2[n:5]([cH:6][c:7](-[c:9]3[cH:10][n:11][n:12]([CH3:14])[cH:13]3)[cH:8]1)[n:15][cH:16][c:17]2[CH:18]=[O:19].[CH3:26][C:27](=[CH:28][CH3:29])[CH3:30].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl+:31]([O-:32])[O-:33].[Na+:25].[Na+:34].[OH2:35].[P:20](=[O:21])([O-:22])([OH:23])[OH:24]>>[CH3:1][O:2][c:3]1[c:4]2[n:5]([cH:6][c:7](-[c:9]3[cH:10][n:11][n:12]([CH3:14])[cH:13]3)[cH:8]1)[n:15][cH:16][c:17]2[C:18](=[O:19])[OH:21]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 2631-ButanolHCID 923Sodium Ion2회HCID 962WaterHCID 1003DihydrogenphosphateHCID 8857Ethyl AcetateHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 866570544-methoxy-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

출처 및 근거

ORD 기록
ord-2ff6c696124447d58d8aa9b9f6670e8e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 584048684-methoxy-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid