Citric Acid → 3-(4-{[2'-Methyl-4'-(3-(pyridin-2-yl)propoxy)biphenyl-3-yl]methoxy}phenyl)propanoic acid

HRID 2154328

Reaction equation

HRID 2154328 reaction equation
[CH3:1][c:2]1[c:3](-[c:18]2[cH:19][c:20]([CH2:24][O:25][c:26]3[cH:27][cH:28][c:29]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:30][cH:31]3)[cH:21][cH:22][cH:23]2)[cH:4][cH:5][c:6]([O:8][CH2:9][CH2:10][CH2:11][c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)[cH:7]1.[CH3:54][OH:55].[Na+:39].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH-:38].[OH2:40].[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[CH3:1][c:2]1[c:3](-[c:18]2[cH:19][c:20]([CH2:24][O:25][c:26]3[cH:27][cH:28][c:29]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[cH:30][cH:31]3)[cH:21][cH:22][cH:23]2)[cH:4][cH:5][c:6]([O:8][CH2:9][CH2:10][CH2:11][c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)[cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 58903135Methyl 3-(4-{[2'-methyl-4'-(3-(pyridin-2-yl)propoxy)biphenyl-3-yl]methoxy}phenyl)propanoate

Product 1

HCID 589031573-(4-{[2'-Methyl-4'-(3-(pyridin-2-yl)propoxy)biphenyl-3-yl]methoxy}phenyl)propanoic acid

Sources & evidence

ORD record
ord-e4d99933042a4b2a99596797150c99fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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