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Ammonium → 3-cyclopentyl-2-[4-(4,6-dimethyl-pyrimidin-2-yloxy)-6-oxo-6H-pyridazin-1-yl]-propionic acid methyl ester

HRID 1114083
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반응식

HRID 1114083 반응식
[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1)[n:11]1[n:12][cH:13][c:14]([O:19][c:20]2[n:21][c:22]([CH3:27])[cH:23][c:24]([CH3:26])[n:25]2)[c:15]([Cl:18])[c:16]1=[O:17])=[O:28].[CH3:33][CH2:34][OH:35].[CH:29]([O-:30])=[O:31].[NH4+:32]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1)[n:11]1[n:12][cH:13][c:14]([O:19][c:20]2[n:21][c:22]([CH3:27])[cH:23][c:24]([CH3:26])[n:25]2)[cH:15][c:16]1=[O:17])=[O:28]
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반응물 4

HCID 223AmmoniumHCID 283FormateHCID 702EthanolHCID 668753332-[5-chloro-4-(4,6-dimethyl-pyrimidin-2-yloxy)-6-oxo-6H-pyridazin-1-yl]-3-cyclopentyl-propionic acid methyl ester

생성물 1

HCID 668750953-cyclopentyl-2-[4-(4,6-dimethyl-pyrimidin-2-yloxy)-6-oxo-6H-pyridazin-1-yl]-propionic acid methyl ester

출처 및 근거

ORD 기록
ord-37ae01fb73554577af245c450b0a16a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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