Sodium ion → 4-[[4-[[4-[2-Di(propan-2-yloxy)phosphorylethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

HRID 179481

反応式

HRID 179481 の反応式
[CH2:37]([P:38](=[O:39])([O:40][CH:41]([CH3:42])[CH3:43])[O:44][CH:45]([CH3:46])[CH3:47])[P:48]([O:49][CH:50]([CH3:51])[CH3:52])([O:53][CH:54]([CH3:55])[CH3:56])=[O:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[H-:63].[Na+:64].[OH2:65].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[O:25])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[CH:37][P:48]([O:49][CH:50]([CH3:51])[CH3:52])([O:53][CH:54]([CH3:55])[CH3:56])=[O:57])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1

参加物

7

反応物 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 74266Tetraisopropyl methylenediphosphonateHCID 166653HydrideHCID 866057753-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-phenyl-1H-pyrazole-4-carbaldehyde

生成物 1

HCID 907828174-[[4-[[4-[2-Di(propan-2-yloxy)phosphorylethenyl]-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

出典と根拠

ORDレコード
ord-5080fa0eb353439aac8992d57f02a4e1
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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