3-(4-Fluorobenzoyl)propionic acid → HCID 24991873, compound

HRID 2122301Notes

Reaction equation

HRID 2122301 reaction equation
[CH2:46]([O:47][C:48](=[O:49])[CH2:50][S:51][c:52]1[s:53][c:54]([NH2:55])[n:56][cH:57]1)[CH3:58].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:5][cH:6][cH:7]1.[F:32][c:33]1[cH:34][cH:35][c:36]([C:39]([CH2:40][CH2:41][C:42]([OH:43])=[O:44])=[O:45])[cH:37][cH:38]1>>[CH2:8]([CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]1[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]1)=[O:24])[CH:25]1[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]1)[CH:39]([c:36]1[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]1)[OH:45]

Participants

4

Reactant 3

HCID 1013593-(4-Fluorobenzoyl)propionic acidHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 24991170{2-[3-[3-(3-Chloro-phenyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

Product 1

HCID 24991873HCID 24991873, compound

Sources & evidence

ORD record
ord-df88b4445b3f4a5ea0cb78435ce6ebae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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