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Ammonium → [5-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid

HRID 667399
Notes
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Reaction equation

HRID 667399 reaction equation
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:43])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:40])[c:25]([C:28]#[C:29][C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:26][cH:27]3)[CH2:41][CH3:42])[cH:17][cH:18]2)[cH:12]1)=[O:44].[CH3:47][OH:48].[Cl-:45].[NH4+:46].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:43])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:40])[c:25]([C:28]#[C:29][C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:26][cH:27]3)[CH2:41][CH3:42])[cH:17][cH:18]2)[cH:12]1)[OH:44]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 57709136[5-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

Product 1

HCID 15942129[5-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid

Sources & evidence

ORD record
ord-8de4059b58f84a8d9f0f05ec312f94ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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