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Hydrochloric Acid → 3-{2-Fluoro-4-[(4-{[[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]-phenyl}propanoic acid

HRID 1122554
Notes
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Reaction equation

HRID 1122554 reaction equation
[CH3:45][CH2:46][OH:47].[ClH:44].[F:1][c:2]1[c:3]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([c:18]3[s:19][cH:20][c:21]([CH:23]([CH3:24])[CH3:25])[n:22]3)[CH2:26][CH2:27][c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[cH:14][cH:15]2)[cH:7]1.[Na+:43].[OH-:42].[OH2:48]>>[F:1][c:2]1[c:3]([CH2:35][CH2:36][C:37](=[O:38])[OH:39])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([c:18]3[s:19][cH:20][c:21]([CH:23]([CH3:24])[CH3:25])[n:22]3)[CH2:26][CH2:27][c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[cH:14][cH:15]2)[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 23143258Ethyl 3-(2-fluoro-4-[(4-([[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]phenyl}propanoate

Product 1

HCID 23143235
3-{2-Fluoro-4-[(4-{[[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]-phenyl}propanoic acid

Sources & evidence

ORD record
ord-402bdfdb61c64d129be3c559af2f7cd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes