Sodium ion → [3-({6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-phenyl-1-benzofuran-2-yl}methoxy)-1-phenyl-1H-pyrazol-4-yl]methanol

HRID 194862Notes

Reaction equation

HRID 194862 reaction equation
[Al+3:49].[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]3[c:18]([c:19](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:20]([CH2:22][O:23][c:24]4[n:25][n:26](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:27][c:28]4[C:29](=[O:30])[O:31][CH2:32][CH3:33])[o:21]3)[cH:46][cH:47]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[H-:48].[H-:51].[H-:52].[H-:53].[Li+:50].[Na+:69].[Na+:70].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:54].[OH2:55].[OH2:56].[OH2:57].[OH2:58].[OH2:59].[OH2:60].[OH2:61].[OH2:62].[OH2:63].[S:64]([O-:65])([O-:66])(=[O:67])=[O:68]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]3[c:18]([c:19](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:20]([CH2:22][O:23][c:24]4[n:25][n:26](-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:27][c:28]4[CH2:29][OH:30])[o:21]3)[cH:46][cH:47]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962Water10×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 69217630ethyl 3-({6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-phenyl-1-benzofuran-2-yl}methoxy)-1-phenyl-1H-pyrazole-4-carboxylate

Product 1

HCID 69215881[3-({6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-phenyl-1-benzofuran-2-yl}methoxy)-1-phenyl-1H-pyrazol-4-yl]methanol

Sources & evidence

ORD record
ord-4726ffaead594dd0b1c9ee7ce9b09153
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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