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Sodium Ion → Ethyl 2-[4-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

HRID 2135542
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인쇄 미리보기

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HRID 2135542 반응식
[CH2:44]([P:45]([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])=[O:52])[P:53](=[O:54])([O:55][CH2:56][CH3:57])[O:58][CH2:59][CH3:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:1](=[O:2])[c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:42][CH3:43])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32][cH:33]4)[o:25][c:26]3[CH3:27])[cH:40][cH:41]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[H-:66].[Na+:67].[OH2:68]>>[CH:1]([c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:42][CH3:43])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32][cH:33]4)[o:25][c:26]3[CH3:27])[cH:40][cH:41]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1)=[CH:44][P:45]([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])=[O:52]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 86605875ethyl (4-{4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)acetate

생성물 1

HCID 90875805
Ethyl 2-[4-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate

출처 및 근거

ORD 기록
ord-3318ca4cdd564399b15100e2d9afb131
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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