4-Thiazoleacetic acid, 2-amino-, ethyl ester → {2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acid

HRID 2346213Notes

Reaction equation

HRID 2346213 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([NH:11][C:12](=[O:13])[N:14]([c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[s:9][cH:10]1)=[O:31].[CH2:76]([O:77][C:78](=[O:79])[CH2:80][c:81]1[n:82][c:83]([NH2:84])[s:85][cH:86]1)[CH3:87].[CH:32]1([CH2:33][N:34]([c:35]2[cH:36][cH:37][c:38]([F:39])[c:40]([F:41])[cH:42]2)[C:43](=[O:44])[NH:45][c:46]2[s:47][cH:48][c:49]([CH2:50][C:51]([OH:52])=[O:53])[n:54]2)[CH2:55][CH2:56][CH2:57][CH2:58]1.[CH:59]1([CH2:60][NH:61][c:62]2[cH:63][cH:64][c:65]([S:66]([CH3:67])(=[O:68])=[O:69])[cH:70][cH:71]2)[CH2:72][CH2:73][CH2:74][CH2:75]1>>[O:3]=[C:4]([CH2:5][c:6]1[n:7][c:8]([NH:11][C:12](=[O:13])[N:14]([c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)[CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[s:9][cH:10]1)[OH:31]

Participants

5

Reactant 4

HCID 1044544-Thiazoleacetic acid, 2-amino-, ethyl esterHCID 43453307Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amineHCID 57668246{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-4-yl}-acetic acidHCID 86761279{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester

Product 1

HCID 57668194{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acid

Sources & evidence

ORD record
ord-bb8eff81e07c4bac92c5b97785e1a365
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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