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Hydrochloric Acid → 4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid

HRID 141036
Notes
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Reaction equation

HRID 141036 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([O:22][CH2:23][CH2:24][CH2:25][S:26][c:27]2[c:28]([CH2:37][CH2:38][CH3:39])[c:29]([OH:36])[c:30]([C:33]([CH3:34])=[O:35])[cH:31][cH:32]2)[c:8]([CH2:19][CH2:20][CH3:21])[c:9]1[O:10][CH2:11][CH2:12][CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18].[CH3:44][CH2:45][OH:46].[ClH:43].[Na+:41].[OH-:40].[OH2:42]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([O:22][CH2:23][CH2:24][CH2:25][S:26][c:27]2[c:28]([CH2:37][CH2:38][CH3:39])[c:29]([OH:36])[c:30]([C:33]([CH3:34])=[O:35])[cH:31][cH:32]2)[c:8]([CH2:19][CH2:20][CH3:21])[c:9]1[O:10][CH2:11][CH2:12][CH2:13][C:14](=[O:15])[OH:16]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 15712389Ethyl 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy]-2-propylphenoxy]butyrate

Product 1

HCID 9893228
4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid

Sources & evidence

ORD record
ord-252def4bf4c441aabdf948f2da2a3322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes