4-p-Tolylbutyric acid → {2-[3-(4-Methyl-cyclohexyl)-3-(4-p-tolyl-butyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

HRID 664130Notes

Reaction equation

HRID 664130 reaction equation
[CH2:45]([O:46][C:47](=[O:48])[CH2:49][S:50][c:51]1[s:52][c:53]([NH2:54])[n:55][cH:56]1)[CH3:57].[CH3:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][CH2:40][CH2:41][C:42]([OH:43])=[O:44])[cH:37][cH:38]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:5][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:6][cH:7][cH:8]1>>[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)[CH2:40][CH2:39][c:36]1[cH:35][cH:34][c:33]([CH3:32])[cH:38][cH:37]1

Participants

4

Reactant 3

HCID 782794-p-Tolylbutyric 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 24991172{2-[3-(4-Methyl-cyclohexyl)-3-(4-p-tolyl-butyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

Sources & evidence

ORD record
ord-80bf63c5105840a69c7fde657bbd74f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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