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Sodium Ion → {1-benzyl-3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-hydroxybenzyl)oxy]-1H-pyrazol-4-yl}methanol

HRID 2149237
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HRID 2149237 반응식
[Al+3:41].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([O:18][CH2:19][c:20]2[cH:21][c:22]([OH:39])[c:23]([O:26][CH2:27][c:28]3[n:29][c:30](-[c:34]4[o:35][cH:36][cH:37][cH:38]4)[o:31][c:32]3[CH3:33])[cH:24][cH:25]2)[c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[H-:40].[H-:43].[H-:44].[H-:45].[Li+:42].[Na+:61].[Na+:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[S:56]([O-:57])([O-:58])(=[O:59])=[O:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([O:18][CH2:19][c:20]2[cH:21][c:22]([OH:39])[c:23]([O:26][CH2:27][c:28]3[n:29][c:30](-[c:34]4[o:35][cH:36][cH:37][cH:38]4)[o:31][c:32]3[CH3:33])[cH:24][cH:25]2)[c:11]([CH2:13][OH:14])[cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 923Sodium Ion2회HCID 962Water10회HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride
4회
HCID 69215066ethyl 1-benzyl-3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-hydroxybenzyl)oxy]-1H-pyrazole-4-carboxylate

생성물 1

HCID 69218628{1-benzyl-3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-hydroxybenzyl)oxy]-1H-pyrazol-4-yl}methanol

출처 및 근거

ORD 기록
ord-f2d375f9f45040a382512be7b63e80cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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