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Potassium Cation → Diethylaminocarbonylmethyl 3-[(2-acetylthiomethyl-3-phenylpropionyl)amino]benzoate

HRID 119776
Notes
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Reaction equation

HRID 119776 reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:35][CH2:36][C:37](=[O:38])[N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[I-:27].[K+:26].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[O:15][CH2:36][C:37](=[O:38])[N:39]([CH2:40][CH3:41])[CH2:42][CH3:43])[cH:16][cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 16844Chloro-N,N-diethylacetamideHCID 30165Iodide IonHCID 10215552Benzoic acid, 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-

Product 1

HCID 15670248Diethylaminocarbonylmethyl 3-[(2-acetylthiomethyl-3-phenylpropionyl)amino]benzoate

Sources & evidence

ORD record
ord-16a1a42f3b5c48c3a12f3c030ea065c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes