Hydrochloric Acid → 5-((3,3-Dimethylbutanoyl)amino)-3-(4-isopropylphenyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

HRID 687087

Reaktionsgleichung

Reaktionsgleichung von HRID 687087
[CH3:49][C:50]#[N:51].[CH:1](=[O:2])[c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1.[Cl+:39]([O-:40])[O-:41].[ClH:48].[Na+:31].[Na+:42].[Na+:43].[OH2:52].[OH:32][P:33](=[O:34])([O-:35])[OH:36].[OH:37][OH:38].[OH:44][S:45](=[O:46])[O-:47]>>[C:1](=[O:2])([c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1)[OH:32]

Komponenten

10

Edukt 9

HCID 313Hydrochloric AcidHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 104748BisulfiteHCID 197148ChloriteHCID 23114128N-(7-Formyl-3-(4-isopropylphenyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide

Produkt 1

HCID 687099585-((3,3-Dimethylbutanoyl)amino)-3-(4-isopropylphenyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

Quellen und Nachweise

ORD-Eintrag
ord-6f809606bd194ab0a11f7349b66e0cf2
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Verknüpfte Notizen

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