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Citric Acid → 3-(4-{[2'-methyl-4'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-3-yl]methoxy}phenyl)propanoic acid

HRID 1568942
Notes
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Reaction equation

HRID 1568942 reaction equation
[CH3:1][c:2]1[c:3](-[c:15]2[cH:16][c:17]([CH2:21][O:22][c:23]3[cH:24][cH:25][c:26]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:27][cH:28]3)[cH:18][cH:19][cH:20]2)[cH:4][cH:5][c:6]([O:8][CH:9]2[O:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:7]1.[CH3:51][OH:52].[Na+:36].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:35].[OH2:37].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH3:1][c:2]1[c:3](-[c:15]2[cH:16][c:17]([CH2:21][O:22][c:23]3[cH:24][cH:25][c:26]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:27][cH:28]3)[cH:18][cH:19][cH:20]2)[cH:4][cH:5][c:6]([O:8][CH:9]2[O:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 58903213methyl 3-(4-{[2'-methyl-4'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-3-yl]methoxy}phenyl)propanoate

Product 1

HCID 589032103-(4-{[2'-methyl-4'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-3-yl]methoxy}phenyl)propanoic acid

Sources & evidence

ORD record
ord-9ebe3bcb1bff4b11927bd4c41d417e92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes