Benzyl Bromide → 3-{2-[3-(2-Benzyloxy-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid

HRID 2339094

Reaction equation

HRID 2339094 reaction equation
[Br:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH2:44]([O:45][C:46](=[O:47])[C:48]([CH3:49])([CH3:50])[CH2:51][S:52][c:53]1[s:54][c:55]([NH2:56])[n:57][cH:58]1)[CH3:59].[Cl:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH2:7][N:8]([C:9]([NH:10][c:11]2[s:12][c:13]([S:16][CH2:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:14][n:15]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33][cH:34][cH:35]1>>[cH:2]1[c:3]([CH2:4][O:5][CH2:6][CH2:7][N:8]([C:9]([NH:10][c:11]2[s:12][c:13]([S:16][CH2:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:14][n:15]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33][cH:34][cH:35]1

Participants

4

Reactant 3

HCID 7498Benzyl BromideHCID 249871013-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acidHCID 574814293-(2-Amino-thiazol-5-ylsulfanyl)-2,2-dimethyl-propionic acid ethyl ester

Product 1

HCID 249871023-{2-[3-(2-Benzyloxy-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acid

Sources & evidence

ORD record
ord-ba2d8d382b1e40e0923eeece5138b1ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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