Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amine → 2-{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

HRID 116498Notes

Reaction equation

HRID 116498 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][C:15](=[O:16])[N:17]([c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]2)[CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[s:13]1)=[O:34].[CH2:81]([O:82][C:83](=[O:84])[C:85]([S:86][c:87]1[s:88][c:89]([NH2:90])[n:91][cH:92]1)([CH3:93])[CH3:94])[CH3:95].[CH:35]1([CH2:36][N:37]([c:38]2[cH:39][cH:40][c:41]([S:42]([CH3:43])(=[O:44])=[O:45])[cH:46][cH:47]2)[C:48](=[O:49])[NH:50][c:51]2[s:52][cH:53][c:54]([CH2:55][C:56]([OH:57])=[O:58])[n:59]2)[CH2:60][CH2:61][CH2:62][CH2:63]1.[CH:64]1([CH2:65][NH:66][c:67]2[cH:68][cH:69][c:70]([S:71]([CH3:72])(=[O:73])=[O:74])[cH:75][cH:76]2)[CH2:77][CH2:78][CH2:79][CH2:80]1>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][C:15](=[O:16])[N:17]([c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]2)[CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[s:13]1)[OH:34]

Participants

5

Reactant 4

HCID 43453307Cyclopentylmethyl-(4-methanesulfonyl-phenyl)-amineHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoateHCID 57668194{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acidHCID 866298822-{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid ethyl ester

Product 1

HCID 576683362-{2-[3-Cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

Sources & evidence

ORD record
ord-1252e3ae34bf48b1ba0c99562e27d4d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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