Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amine → 3-{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazole-5-sulfonylamino}-propionic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][NH:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][n:13][c:14]([NH:16][C:17](=[O:18])[N:19]([c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:24][cH:25]2)[CH2:30][CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35]2)[s:15]1)=[O:36].[CH2:83]([O:84][C:85](=[O:86])[CH2:87][CH2:88][NH:89][S:90]([c:91]1[s:92][c:93]([NH2:94])[n:95][cH:96]1)(=[O:97])=[O:98])[CH3:99].[CH3:100][O:101][C:102]([CH:103]1[CH2:104][CH2:105][CH2:106][N:107]1[S:108]([c:109]1[s:110][c:111]([NH2:112])[n:113][cH:114]1)(=[O:115])=[O:116])=[O:117].[CH:37]1([CH2:38][N:39]([c:40]2[cH:41][cH:42][c:43]([S:44]([CH3:45])(=[O:46])=[O:47])[cH:48][cH:49]2)[C:50](=[O:51])[NH:52][c:53]2[s:54][cH:55][c:56]([CH2:57][C:58]([OH:59])=[O:60])[n:61]2)[CH2:62][CH2:63][CH2:64][CH2:65]1.[CH:66]1([CH2:67][NH:68][c:69]2[cH:70][cH:71][c:72]([S:73]([CH3:74])(=[O:75])=[O:76])[cH:77][cH:78]2)[CH2:79][CH2:80][CH2:81][CH2:82]1>>[O:3]=[C:4]([CH2:5][CH2:6][NH:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][n:13][c:14]([NH:16][C:17](=[O:18])[N:19]([c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:24][cH:25]2)[CH2:30][CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35]2)[s:15]1)[OH:36]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 86253784Methyl 1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
HCID 866298803-(2-Amino-thiazole-5-sulfonylamino)propionic acid ethyl ester
HCID 866298853-{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazole-5-sulfonylamino}-propionic acid ethyl esterProduct 1
Sources & evidence
- ORD record
- ord-4ff1113d7b2f4e00bcfe72008730fb6d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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