1-(2-Bromoethyl)-3-chlorobenzene → 2-{2-[3-[2-(3-Chloro-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

HRID 1535796Notes

Reaction equation

HRID 1535796 reaction equation
[Br:32][CH2:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][c:39]([Cl:41])[cH:40]1.[CH2:42]([O:43][C:44](=[O:45])[C:46]([S:47][c:48]1[s:49][c:50]([NH2:51])[n:52][cH:53]1)([CH3:54])[CH3:55])[CH3:56].[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:6])[S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[N:16]([CH2:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[s:12]1>>[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:6])[S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[N:16]([CH2:17][CH2:18][c:19]2[cH:20][c:21]([Cl:41])[cH:22][cH:23][cH:24]2)[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[s:12]1

Participants

4

Reactant 3

HCID 1401401-(2-Bromoethyl)-3-chlorobenzeneHCID 249889372-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-phenethyl-ureido]-thiazol-5-ylsulfanyl}-propionic acidHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoate

Product 1

HCID 249867512-{2-[3-[2-(3-Chloro-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

Sources & evidence

ORD record
ord-c0804b0171904e8bb345f8fa830e21a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…