Sodium ion → methyl 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methoxy}benzoate

HRID 301331

Reaction equation

HRID 301331 reaction equation
[Al+3:17].[CH2:50]([P:51]([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH:14]=[O:15])[cH:10][n:11][n:12]2[CH3:13])[cH:6][cH:7]1.[H-:16].[H-:19].[H-:20].[H-:21].[Li+:18].[N:63]([C:64]([N:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1)=[O:71])=[N:72][C:73]([N:74]1[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]1)=[O:80].[Na+:37].[Na+:38].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH:39][c:40]1[cH:41][cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]1.[S:32]([O-:33])([O-:34])(=[O:35])=[O:36]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:14][O:15][c:40]3[cH:41][cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]3)[cH:10][n:11][n:12]2[CH3:13])[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 923Sodium ion2×HCID 962Water10×HCID 1117Sulfate IonHCID 7456MethylparabenHCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 28486Lithium ionHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 104727Aluminum CationHCID 166653Hydride4×HCID 231574845-(4-fluorophenyl)-1-methyl-1H-pyrazole-4-carbaldehyde

Product 1

HCID 23157684methyl 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methoxy}benzoate

Sources & evidence

ORD record
ord-ade3f3e8eba344aca3b62d5b7f211f91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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