Hydrochloric Acid → 2-[6-[[3-[3-Fluoro-2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

HRID 687604Notes

Reaction equation

HRID 687604 reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][CH2:16][c:17]1[cH:18][c:19](-[c:23]3[c:24]([CH3:39])[c:25]([F:38])[c:26]([O:30][CH2:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[CH3:37])[cH:27][c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2.[CH3:40][OH:41].[ClH:44].[Na+:43].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:42].[OH2:45]>>[CH2:2]([C:3](=[O:4])[OH:5])[CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][CH2:16][c:17]1[cH:18][c:19](-[c:23]3[c:24]([CH3:39])[c:25]([F:38])[c:26]([O:30][CH2:31][CH2:32][CH2:33][S:34](=[O:35])(=[O:36])[CH3:37])[cH:27][c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 178429061HCID 178429061, compound

Product 1

HCID 740757122-[6-[[3-[3-Fluoro-2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Sources & evidence

ORD record
ord-23f83acf76cf4fa08e0134683647721a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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