2-(2,3-dihydro-1H-inden-2-yl)ethanol → 2-{2-[3-(2-Indan-2-yl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

HRID 174124

Reaction equation

HRID 174124 reaction equation
[CH2:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[CH2:41][CH:42]1[CH2:43][CH2:44][OH:45].[CH2:46]([O:47][C:48](=[O:49])[C:50]([S:51][c:52]1[s:53][c:54]([NH2:55])[n:56][cH:57]1)([CH3:58])[CH3:59])[CH3:60].[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][CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH:27]2[CH2:28][CH2:29][CH:30]([CH3:33])[CH2:31][CH2:32]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][CH:19]2[CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[CH2:34]2)[CH:27]2[CH2:28][CH2:29][CH:30]([CH3:33])[CH2:31][CH2:32]2)[s:12]1

Participants

4

Reactant 3

HCID 103520002-(2,3-dihydro-1H-inden-2-yl)ethanolHCID 249871042-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(4-phenyl-butyl)ureido]-thiazol-5-ylsulfanyl}-propionic acidHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoate

Product 1

HCID 249878362-{2-[3-(2-Indan-2-yl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

Sources & evidence

ORD record
ord-ad99a18ba97247b8b447e5f58670bc29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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