Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amine → {2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazole-5-sulfonylamino}-acetic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][c:13]([NH:15][C:16](=[O:17])[N:18]([c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[CH2:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34]2)[s:14]1)=[O:35].[CH2:82]([O:83][C:84](=[O:85])[CH2:86][NH:87][S:88]([c:89]1[s:90][c:91]([NH2:92])[n:93][cH:94]1)(=[O:95])=[O:96])[CH3:97].[CH3:98][O:99][C:100]([CH:101]1[CH2:102][CH2:103][CH2:104][N:105]1[S:106]([c:107]1[s:108][c:109]([NH2:110])[n:111][cH:112]1)(=[O:113])=[O:114])=[O:115].[CH:36]1([CH2:37][N:38]([c:39]2[cH:40][cH:41][c:42]([S:43]([CH3:44])(=[O:45])=[O:46])[cH:47][cH:48]2)[C:49](=[O:50])[NH:51][c:52]2[s:53][cH:54][c:55]([CH2:56][C:57]([OH:58])=[O:59])[n:60]2)[CH2:61][CH2:62][CH2:63][CH2:64]1.[CH:65]1([CH2:66][NH:67][c:68]2[cH:69][cH:70][c:71]([S:72]([CH3:73])(=[O:74])=[O:75])[cH:76][cH:77]2)[CH2:78][CH2:79][CH2:80][CH2:81]1>>[O:3]=[C:4]([CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][c:13]([NH:15][C:16](=[O:17])[N:18]([c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[CH2:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34]2)[s:14]1)[OH:35]Participants
6
Reactant 5
HCID 43453307Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amine
HCID 57668194{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acid
HCID 86253773(2-Amino-thiazole-5-sulfonylamino)acetic acid ethyl ester
HCID 86253784Methyl 1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
HCID 86629884{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)ureido]-thiazole-5-sulfonylamino}-acetic acid ethyl esterProduct 1
Sources & evidence
- ORD record
- ord-20c9b1e70b5e40068271437a5a719ab9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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