Hydrochloric Acid → Hydrochloric Acid

HRID 2149524Notes

Reaction equation

HRID 2149524 reaction equation
[C:43]([O:44][CH2:45][CH3:46])(=[O:47])[CH3:48].[CH3:1][c:2]1[c:3](-[c:18]2[cH:19][c:20]([CH2:24][O:25][c:26]3[cH:27][c:28]([F:39])[c:29]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:30][cH:31]3)[cH:21][cH:22][cH:23]2)[c:4]([CH3:17])[cH:5][c:6]([O:8][CH2:9][c:10]2[n:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]2)[cH:7]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:61][OH:62].[ClH:42].[ClH:49].[Na+:41].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH-:40]>>[CH3:1][c:2]1[c:3](-[c:18]2[cH:19][c:20]([CH2:24][O:25][c:26]3[cH:27][c:28]([F:39])[c:29]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[cH:30][cH:31]3)[cH:21][cH:22][cH:23]2)[c:4]([CH3:17])[cH:5][c:6]([O:8][CH2:9][c:10]2[n:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]2)[cH:7]1.[ClH:42]

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl Acetate2×HCID 58903176Ethyl 3-[4-({2',6'-dimethyl-4'-[(6-methylpyridin-2-yl)methoxy]biphenyl-3-yl}methoxy)-2-fluorophenyl]propanoate

Product 2

HCID 313Hydrochloric AcidHCID 112257813-[4-[[3-[2,6-Dimethyl-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid

Sources & evidence

ORD record
ord-969d5bd710984c8dbbc02281e8b340a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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