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Sodium Ion → 1-{2-[3-(2-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]ethyl}-3-azetidinecarboxylic acid

HRID 311268
Notes
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Reaction equation

HRID 311268 reaction equation
[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([CH2:33][CH3:34])[c:19]([CH2:23][CH2:24][N:25]4[CH2:26][CH:27]([C:29](=[O:30])[O:31][CH3:32])[CH2:28]4)[cH:20][cH:21][cH:22]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:36].[OH-:35].[OH2:41]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([CH2:33][CH3:34])[c:19]([CH2:23][CH2:24][N:25]4[CH2:26][CH:27]([C:29](=[O:30])[OH:31])[CH2:28]4)[cH:20][cH:21][cH:22]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 58494068Methyl 1-{2-[3-(2-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]ethyl}-3-azetidinecarboxylate

Product 1

HCID 54577157
1-{2-[3-(2-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-2-ethylphenyl]ethyl}-3-azetidinecarboxylic acid

Sources & evidence

ORD record
ord-8a938f0828b047a59c098403406bf55b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes