Hydrochloric Acid → N-(4-chloro-3-methylisothiazol-5-yl)-2-[4-hydroxy-3-(3,3,3-trifluoropropionamido)phenyl]propionamide

HRID 208489

Reaction equation

HRID 208489 reaction equation
[CH2:30]([N:31]([CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41])[CH3:42].[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[c:3]([CH3:20])[n:4][s:5][c:6]1[NH:7][C:8]([CH:9]([CH3:10])[c:11]1[cH:12][c:13]([NH2:18])[c:14]([OH:17])[cH:15][cH:16]1)=[O:19].[ClH:29].[F:21][C:22]([CH2:23][C:24](=[O:25])[OH:26])([F:27])[F:28]>>[Cl:1][c:2]1[c:3]([CH3:20])[n:4][s:5][c:6]1[NH:7][C:8]([CH:9]([CH3:10])[c:11]1[cH:12][c:13]([NH:18][C:24]([CH2:23][C:22]([F:21])([F:27])[F:28])=[O:25])[c:14]([OH:17])[cH:15][cH:16]1)=[O:19]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 27779723,3,3-Trifluoropropionic acidHCID 99645131-Ethyl-3-(3-diethylaminopropyl)carbodiimideHCID 22742099N-(4-chloro-3-methylisothiazol-5-yl)-2-(3-amino-4-hydroxyphenyl)propionamide

Product 1

HCID 22742118N-(4-chloro-3-methylisothiazol-5-yl)-2-[4-hydroxy-3-(3,3,3-trifluoropropionamido)phenyl]propionamide

Sources & evidence

ORD record
ord-57ac5c4e78914f78ab3a8a1ead463ffe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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