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

HRID 284420

Reaction equation

HRID 284420 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][c:20]([F:25])[c:21]([F:24])[cH:22][cH:23]2)[CH2:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[s:13]1)=[O:32].[CH2:76]([O:77][C:78](=[O:79])[C:80]([S:81][c:82]1[s:83][c:84]([NH2:85])[n:86][cH:87]1)([CH3:88])[CH3:89])[CH3:90].[CH:33]1([CH2:34][N:35]([c:36]2[cH:37][cH:38][c:39]([F:40])[c:41]([F:42])[cH:43]2)[C:44](=[O:45])[NH:46][c:47]2[s:48][cH:49][c:50]([CH2:51][C:52]([OH:53])=[O:54])[n:55]2)[CH2:56][CH2:57][CH2:58][CH2:59]1.[CH:69]1([CH:70]=[O:71])[CH2:72][CH2:73][CH2:74][CH2:75]1.[F:60][c:61]1[cH:62][c:63]([NH2:68])[cH:64][cH:65][c:66]1[F:67]>>[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][c:20]([F:25])[c:21]([F:24])[cH:22][cH:23]2)[CH2:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[s:13]1)[OH:32]

Participants

6

Reactant 5

HCID 70106CyclopentanecarbaldehydeHCID 774693,4-DifluoroanilineHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoateHCID 57668246{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-4-yl}-acetic acidHCID 866298732-{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid ethyl ester

Product 1

HCID 576683642-{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acid

Sources & evidence

ORD record
ord-65fcae7ac4394f16bf88d38d75e836d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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