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Citric Acid → 3-(4-{[(2',6'-Dimethylbiphenyl-3-yl)methyl]amino}phenyl)propanoic acid

HRID 181471
Notes
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Reaction equation

HRID 181471 reaction equation
[CH3:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([CH2:15][NH:16][c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:21][cH:22]3)[cH:12][cH:13][cH:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:45][OH:46].[Na+:30].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:29].[OH2:31].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[CH3:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([CH2:15][NH:16][c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[cH:21][cH:22]3)[cH:12][cH:13][cH:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 23157312Methyl 3-(4-{[(2',6'-dimethylbiphenyl-3-yl)methyl]amino}phenyl)propanoate

Product

1
HCID 231571913-(4-{[(2',6'-Dimethylbiphenyl-3-yl)methyl]amino}phenyl)propanoic acid

Sources & evidence

ORD record
ord-e9566b11d2504d0894551db76b4e4635
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes