Cyclopentanecarbaldehyde → {2-[3-Cyclopentylmethyl-3-(3-methanesulfonylamino-phenyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

HRID 164556

Reaction equation

HRID 164556 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([c:16]2[cH:17][c:18]([NH:22][S:23](=[O:24])(=[O:25])[CH3:26])[cH:19][cH:20][cH:21]2)[CH2:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[s:11]1)=[O:33].[CH2:80]([O:81][C:82](=[O:83])[CH2:84][S:85][c:86]1[s:87][c:88]([NH2:89])[n:90][cH:91]1)[CH3:92].[CH:34]1([CH2:35][N:36]([c:37]2[cH:38][cH:39][c:40]([F:41])[c:42]([F:43])[cH:44]2)[C:45](=[O:46])[NH:47][c:48]2[s:49][cH:50][c:51]([CH2:52][C:53]([OH:54])=[O:55])[n:56]2)[CH2:57][CH2:58][CH2:59][CH2:60]1.[CH:73]1([CH:74]=[O:75])[CH2:76][CH2:77][CH2:78][CH2:79]1.[NH2:61][c:62]1[cH:63][c:64]([NH:65][S:66]([CH3:67])(=[O:68])=[O:69])[cH:70][cH:71][cH:72]1>>[O:3]=[C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([c:16]2[cH:17][c:18]([NH:22][S:23](=[O:24])(=[O:25])[CH3:26])[cH:19][cH:20][cH:21]2)[CH2:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[s:11]1)[OH:33]

Participants

6

Reactant 5

HCID 70106CyclopentanecarbaldehydeHCID 2734262N-(3-Aminophenyl)methanesulfamideHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 57668246{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-4-yl}-acetic acidHCID 86629939{2-[3-Cyclopentylmethyl-3-(3-methanesulfonylamino-phenyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester

Product 1

HCID 57668437{2-[3-Cyclopentylmethyl-3-(3-methanesulfonylamino-phenyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid

Sources & evidence

ORD record
ord-0cfdb28db5f146c88efdb04ce052ea27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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