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

HRID 1214728Notes

Reaction equation

HRID 1214728 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:19]2[cH:20][c:21]([CH2:25][O:26][c:27]3[cH:28][c:29]4[c:30]([cH:39][cH:40]3)[CH:31]([CH2:34][C:35](=[O:36])[O:37][CH3:38])[CH2:32][O:33]4)[cH:22][cH:23][cH:24]2)[c:5]([CH2:17][CH3:18])[cH:6][c:7]([O:9][CH2:10][CH2:11][CH2:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:8]1.[CH3:41][OH:42].[Na+:44].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH-:43].[OH2:58].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:19]2[cH:20][c:21]([CH2:25][O:26][c:27]3[cH:28][c:29]4[c:30]([cH:39][cH:40]3)[CH:31]([CH2:34][C:35](=[O:36])[OH:37])[CH2:32][O:33]4)[cH:22][cH:23][cH:24]2)[c:5]([CH2:17][CH3:18])[cH:6][c:7]([O:9][CH2:10][CH2:11][CH2:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:8]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 178436889HCID 178436889, compound

Product 1

HCID 765285722-[6-[[3-[2,6-Diethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Sources & evidence

ORD record
ord-d3554a131e574151ac5f685e38919d06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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