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Cyclopentanecarbaldehyde → (2-{3-[3-(Cyclopentanecarbonyl-amino)-phenyl]-3-cyclopentylmethyl-ureido}-thiazol-5-ylsulfanyl)-acetic acid

HRID 114081
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HRID 114081 반응식
[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]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:25][cH:26][cH:27]2)[s:11]1)=[O:36].[CH2:86]([O:87][C:88](=[O:89])[CH2:90][S:91][c:92]1[s:93][c:94]([NH2:95])[n:96][cH:97]1)[CH3:98].[CH:37]1([CH2:38][N:39]([c:40]2[cH:41][cH:42][c:43]([F:44])[c:45]([F: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:79]1([CH:80]=[O:81])[CH2:82][CH2:83][CH2:84][CH2:85]1.[NH2:64][c:65]1[cH:66][c:67]([NH:68][C:69]([CH:70]2[CH2:71][CH2:72][CH2:73][CH2:74]2)=[O:75])[cH:76][cH:77][cH:78]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]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:25][cH:26][cH:27]2)[s:11]1)[OH:36]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 70106CyclopentanecarbaldehydeHCID 16774766N-(3-aminophenyl)cyclopentanecarboxamideHCID 21455623Ethyl 2-(2-aminothiazol-5-ylthio)acetateHCID 57668246{2-[3-Cyclopentylmethyl-3-(3,4-difluoro-phenyl)-ureido]-thiazol-4-yl}-acetic acidHCID 86629932(2-{3-[3-(Cyclopentanecarbonyl-amino)-phenyl]-3-cyclopentylmethyl-ureido}-thiazol-5-ylsulfanyl)-acetic acid ethyl ester

생성물 1

HCID 57668439(2-{3-[3-(Cyclopentanecarbonyl-amino)-phenyl]-3-cyclopentylmethyl-ureido}-thiazol-5-ylsulfanyl)-acetic acid

출처 및 근거

ORD 기록
ord-1859820f09e640e2b359d36149f8ec67
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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