Hydrochloric Acid → 2-(Allyloxy)-6-{[(4'-{[(allyloxy)carbonyl]methyl}-3-fluoro-1,1'-biphenyl-4-yl)oxy]methyl}-3-(trifluoromethyl)benzoic acid

HRID 88223

Reaktionsgleichung

Reaktionsgleichung von HRID 88223
[C:63]([OH:64])([CH3:65])([CH3:66])[CH3:67].[CH2:12]([CH:13]=[CH2:14])[O:15][c:16]1[c:17]([CH:48]=[O:49])[c:18]([CH2:19][O:20][c:21]2[c:22]([F:40])[cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH2:39])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47].[CH2:68]1[O:69][CH2:70][CH2:71][O:72][CH2:73]1.[CH3:50][C:51](=[CH:52][CH3:53])[CH3:54].[Cl+:1]([O-:2])[O-:3].[ClH:62].[Na+:11].[Na+:4].[Na+:60].[Na+:61].[OH2:5].[P:6]([O-:7])([OH:8])([OH:9])=[O:10].[S:55]([O-:56])(=[O:57])([O-:58])=[S:59]>>[CH2:12]([CH:13]=[CH2:14])[O:15][c:16]1[c:17]([C:48](=[O:49])[OH:57])[c:18]([CH2:19][O:20][c:21]2[c:22]([F:40])[cH:23][c:24](-[c:27]3[cH:28][cH:29][c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH2:39])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47]

Komponenten

11

Edukt 10

HCID 313Hydrochloric AcidHCID 923Sodium ion4×HCID 962WaterHCID 1003DihydrogenphosphateHCID 1084Thiosulfate ionHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 312751,4-DioxaneHCID 197148ChloriteHCID 86617403Allyl (4'-{[3-(allyloxy)-2-formyl-4-(trifluoromethyl)benzyl]oxy}-3'-fluoro-1,1'-biphenyl-4-yl)acetate

Produkt 1

HCID 671189772-(Allyloxy)-6-{[(4'-{[(allyloxy)carbonyl]methyl}-3-fluoro-1,1'-biphenyl-4-yl)oxy]methyl}-3-(trifluoromethyl)benzoic acid

Quellen und Nachweise

ORD-Eintrag
ord-66c14b74c34146c1b51dae92a18cdb7b
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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