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

HRID 172627Notes

Reaction equation

HRID 172627 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].[NH2:30][c:31]1[s:32][c:33](-[c:37]2[cH:38][c:39]([Cl:50])[c:40]([S:44](=[O:45])(=[O:46])[N:47]([CH3:48])[CH3:49])[c:41]([Cl:43])[cH:42]2)[c:34]([CH3:36])[n:35]1>>[NH:30]([c:31]1[s:32][c:33](-[c:37]2[cH:38][c:39]([Cl:50])[c:40]([S:44](=[O:45])(=[O:46])[N:47]([CH3:48])[CH3:49])[c:41]([Cl:43])[cH:42]2)[c:34]([CH3:36])[n:35]1)[C:58]([NH:57][CH2:56][CH2:55][C:54]([O:53][CH2:51][CH3:52])=[O:60])=[O:59]

Participants

4

Reactant 3

HCID 2733373Ethyl 3-isocyanatopropanoateHCID 865984314-{3-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-ureido)-butyric acid ethyl esterHCID 865984394-(2-Amino-4-methyl-thiazol-5-yl)-2,6-dichloro-N,N-dimethyl-benzenesulfonamide

Product 1

HCID 865984403-{3-[5-(3,5-Dichloro-4-dimethylsulfamoyl-phenyl)-4-methyl-thiazol-2-yl]-ureido}-propionic acid ethyl ester

Sources & evidence

ORD record
ord-cdd3a6b724dd4480ad54c647a268a6e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…