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Hydrochloric Acid → 4-[(2-Acetylthiomethyl-3-phenylpropionyl)aminomethyl]benzoic acid

HRID 164522
Notes
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Reaction equation

HRID 164522 reaction equation
[C:12](=[O:13])([O-:14])[OH:15].[C:17]([CH3:18])(=[O:19])[S:20][CH2:21][CH:22]([C:23](=[O:24])[Cl:25])[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[ClH:33].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[Na+:16].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:34]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1)[C:23]([CH:22]([CH2:21][S:20][C:17]([CH3:18])=[O:19])[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:24]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 655264-(Aminomethyl)Benzoic AcidHCID 103777342-Acetylthiomethyl-3-phenyl-propionyl chloride

Product 1

On this pageParticipantsSources & evidenceReaction notes
HCID 156702224-[(2-Acetylthiomethyl-3-phenylpropionyl)aminomethyl]benzoic acid

Sources & evidence

ORD record
ord-3829aa14b2004688a7c8e5f7f0694323
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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