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2-Fluorothiophenol → 2-{2-[3-[3-(2-Fluoro-phenylsulfanyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

HRID 135406
Notes
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Reaction equation

HRID 135406 reaction equation
[CH2:44]([O:45][C:46](=[O:47])[C:48]([S:49][c:50]1[s:51][c:52]([NH2:53])[n:54][cH:55]1)([CH3:56])[CH3:57])[CH3:58].[CH3:1][O:2][c:3]1[c:4]([S:9][CH2:10][CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]2[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]2)=[O:28])[CH:29]2[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]2)[cH:5][cH:6][cH:7][cH:8]1.[F:36][c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[SH:43]>>[c:3]1([F:36])[c:4]([S:9][CH2:10][CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]2[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]2)=[O:28])[CH:29]2[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]2)[cH:5][cH:6][cH:7][cH:8]1
ParticipantsSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 5202162-FluorothiophenolHCID 249871032-{2-[3-[3-(2-Methoxy-phenylsulfanyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acidHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoate

Product 1

HCID 249904442-{2-[3-[3-(2-Fluoro-phenylsulfanyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

Sources & evidence

ORD record
ord-7eaa26bb887c49418eb361524d1ab5dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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