Ethyl 3-isocyanatopropanoate → HCID 86598435, compound

HRID 169780Notes

Reaction equation

HRID 169780 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].[CH2:52]([CH3:53])[O:54][C:55]([CH2:56][CH2:57][N:58]=[C:59]=[O:60])=[O:61].[n:30]1(-[c:35]2[cH:36][c:37](-[c:45]3[c:46]([CH3:51])[n:47][c:48]([NH2:50])[s:49]3)[cH:38][cH:39][c:40]2[S:41](=[O:42])(=[O:43])[CH3:44])[cH:31][n:32][cH:33][cH:34]1>>[n:30]1(-[c:35]2[cH:36][c:37](-[c:45]3[c:46]([CH3:51])[n:47][c:48]([NH:50][C:59]([NH:58][CH2:57][CH2:56][C:55]([O:54][CH2:52][CH3:53])=[O:61])=[O:60])[s:49]3)[cH:38][cH:39][c:40]2[S:41](=[O:42])(=[O:43])[CH3:44])[cH:31][n:32][cH:33][cH:34]1

Participants

4

Reactant 3

HCID 2733373Ethyl 3-isocyanatopropanoateHCID 574737535-(3-Imidazol-1-yl-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-ylamineHCID 865984314-{3-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-ureido)-butyric acid ethyl ester

Product 1

HCID 86598435HCID 86598435, compound

Sources & evidence

ORD record
ord-0f0520ce73dc4c2f8c921b875b9b86ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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