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Sodium Ion → 4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-2-pyridin-3-yl-1,3-oxazole

HRID 148727
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HRID 148727 반응식
[CH2:38]([P:39](=[O:40])([O:41][CH2:42][CH3:43])[O:44][CH2:45][CH3:46])[P:47]([O:48][CH2:49][CH3:50])([O:51][CH2:52][CH3:53])=[O:54].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:11][c:12]2[CH:13]=[O:14])[cH:21][cH:22][c:23]1[O:24][CH2:25][c:26]1[n:27][c:28](-[c:32]2[cH:33][n:34][cH:35][cH:36][cH:37]2)[o:29][c:30]1[CH3:31].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[H-:60].[Na+:61].[OH2:62]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:11][c:12]2[CH:13]=[CH:38][P:47]([O:48][CH2:49][CH3:50])([O:51][CH2:52][CH3:53])=[O:54])[cH:21][cH:22][c:23]1[O:24][CH2:25][c:26]1[n:27][c:28](-[c:32]2[cH:33][n:34][cH:35][cH:36][cH:37]2)[o:29][c:30]1[CH3:31]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 866058553-({3-methoxy-4-[(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)methoxy]benzyl}oxy)-1-phenyl-1H-pyrazole-4-carbaldehyde

생성물 1

HCID 91360220
4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-2-pyridin-3-yl-1,3-oxazole

출처 및 근거

ORD 기록
ord-7c32d7d2ea614c6b9941009c290d8490
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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