Ethyl 3-isocyanatopropanoate → 3-{3-[5-(4-Methanesulfonyl-3-trifluoromethyl-phenyl)-4-methyl-thiazol-2-yl]-ureido}-propionic acid ethyl ester

HRID 195793Notes

Reaction equation

HRID 195793 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][NH:8][C:9]([NH:10][c:11]1[s:12][c:13](-[c:14]2[cH:15][cH:16][c:17]([S:18]([CH3:19])(=[O:20])=[O:21])[c:22]([F:23])[cH:24]2)[c:25]([CH3:26])[n:27]1)=[O:28])[CH3:29].[CH2:51]([CH3:52])[O:53][C:54]([CH2:55][CH2:56][N:57]=[C:58]=[O:59])=[O:60].[CH3:30][S:31](=[O:32])(=[O:33])[c:34]1[c:35]([C:47]([F:48])([F:49])[F:50])[cH:36][c:37](-[c:40]2[c:41]([CH3:46])[n:42][c:43]([NH2:45])[s:44]2)[cH:38][cH:39]1>>[CH3:30][S:31](=[O:32])(=[O:33])[c:34]1[c:35]([C:47]([F:48])([F:49])[F:50])[cH:36][c:37](-[c:40]2[c:41]([CH3:46])[n:42][c:43]([NH:45][C:58]([NH:57][CH2:56][CH2:55][C:54]([O:53][CH2:51][CH3:52])=[O:60])=[O:59])[s:44]2)[cH:38][cH:39]1

Participants

4

Reactant 3

HCID 2733373Ethyl 3-isocyanatopropanoateHCID 574737494-Methyl-5-(4-(methylsulfonyl)-3-(trifluoromethyl)phenyl)thiazol-2-amineHCID 865984314-{3-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-ureido)-butyric acid ethyl ester

Product 1

HCID 865984333-{3-[5-(4-Methanesulfonyl-3-trifluoromethyl-phenyl)-4-methyl-thiazol-2-yl]-ureido}-propionic acid ethyl ester

Sources & evidence

ORD record
ord-4189fea20f254561b1f399c42a23b8e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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