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Sodium Ion → 4-{2-[(3,5-Bis-trifluoromethyl-benzyl)-(4'-fluoro-5'-isopropyl-4,5,2'-trimethoxy-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-butyric acid

HRID 2125018
Notes
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Reaction equation

HRID 2125018 reaction equation
[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[CH2:25][c:26]2[c:27](-[c:36]3[c:37]([O:46][CH3:47])[cH:38][c:39]([F:45])[c:40]([CH:42]([CH3:43])[CH3:44])[cH:41]3)[cH:28][c:29]([O:34][CH3:35])[c:30]([O:32][CH3:33])[cH:31]2)[cH:48][c:49]([C:51]([F:52])([F:53])[F:54])[cH:50]1)([F:55])[F:56].[Na+:58].[OH-:57]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:12][n:13]2)[CH2:25][c:26]2[c:27](-[c:36]3[c:37]([O:46][CH3:47])[cH:38][c:39]([F:45])[c:40]([CH:42]([CH3:43])[CH3:44])[cH:41]3)[cH:28][c:29]([O:34][CH3:35])[c:30]([O:32][CH3:33])[cH:31]2)[cH:48][c:49]([C:51]([F:52])([F:53])[F:54])[cH:50]1)([F:55])[F:56]
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 923Sodium IonHCID 961HydroxideHCID 8857Ethyl AcetateHCID 86626905Tert-butyl 4-{2-[(3,5-bis-trifluoromethyl-benzyl)-(4'-fluoro-5'-isopropyl-4,5,2'-trimethoxy-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-butyrate

Product 1

HCID 86626906
4-{2-[(3,5-Bis-trifluoromethyl-benzyl)-(4'-fluoro-5'-isopropyl-4,5,2'-trimethoxy-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-butyric acid

Sources & evidence

ORD record
ord-653598d052204a0e94262838e159e1c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes