3,4-Dimethoxyphenethyl bromide → 2-{2-[3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

HRID 1129982Notes

Reaction equation

HRID 1129982 reaction equation
[Br:32][CH2:33][CH2:34][c:35]1[cH:36][c:37]([O:43][CH3:44])[c:38]([O:41][CH3:42])[cH:39][cH:40]1.[CH2:45]([O:46][C:47](=[O:48])[C:49]([S:50][c:51]1[s:52][c:53]([NH2:54])[n:55][cH:56]1)([CH3:57])[CH3:58])[CH3:59].[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]([CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[CH2:33][CH2:34][c:35]2[cH:36][c:37]([O:43][CH3:44])[c:38]([O:41][CH3:42])[cH:39][cH:40]2)[s:12]1

Participants

4

Reactant 3

HCID 114706023,4-Dimethoxyphenethyl bromideHCID 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 249867532-{2-[3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

Sources & evidence

ORD record
ord-c024310c4b1c471a8ec3eea58d27f493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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