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Sodium Ion → 4-(2-diethoxyphosphorylethenyl)-N-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-N-methyl-1-phenylpyrazol-3-amine

HRID 135837
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HRID 135837 반응식
[CH2:1]([P:2](=[O:3])([O:4][CH2:5][CH3:6])[O:7][CH2:8][CH3:9])[P:10]([O:11][CH2:12][CH3:13])([O:14][CH2:15][CH3:16])=[O:17].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[H-:18].[Na+:19].[OH2:57].[o:20]1[c:21](-[c:25]2[o:26][c:27]([CH3:56])[c:28]([CH2:30][O:31][c:32]3[c:33]([O:54][CH3:55])[cH:34][c:35]([CH2:36][N:37]([c:38]4[n:39][n:40](-[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[cH:41][c:42]4[CH:43]=[O:44])[CH3:51])[cH:52][cH:53]3)[n:29]2)[cH:22][cH:23][cH:24]1>>[CH:1]([P:10]([O:11][CH2:12][CH3:13])([O:14][CH2:15][CH3:16])=[O:17])=[CH:43][c:42]1[c:38]([N:37]([CH2:36][c:35]2[cH:34][c:33]([O:54][CH3:55])[c:32]([O:31][CH2:30][c:28]3[c:27]([CH3:56])[o:26][c:25](-[c:21]4[o:20][cH:24][cH:23][cH:22]4)[n:29]3)[cH:53][cH:52]2)[CH3:51])[n:39][n:40](-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:41]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 866059253-([4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl](methyl)amino)-1-phenyl-1H-pyrazole-4-carbaldehyde

생성물 1

HCID 91553008
4-(2-diethoxyphosphorylethenyl)-N-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-N-methyl-1-phenylpyrazol-3-amine

출처 및 근거

ORD 기록
ord-472adb9302e7462ebe8d49cdbcdce2e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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