Methyl 2-mercaptopropionate → {2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid methyl ester

HRID 1572793Notes

Reaction equation

HRID 1572793 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[c:12]([C:18](=[O:19])[CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[s:6]1.[CH3:25][O:26][C:27]([CH:28]([CH3:29])[SH:30])=[O:31]>>[c:2]1([S:30][CH:28]([C:27]([O:26][CH3:25])=[O:31])[CH3:29])[cH:3][n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[c:12]([C:18](=[O:19])[CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[s:6]1

Participants

3

Reactant 2

HCID 103858Methyl 2-mercaptopropionateHCID 597327971-(5-Bromothiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea

Product 1

HCID 86593075{2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid methyl ester

Sources & evidence

ORD record
ord-78e976de125b4b9da983ef271e019fe0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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