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Citric Acid → 1-[1-(5-Chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-cyclopentylurea

HRID 171387
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반응식

HRID 171387 반응식
[CH3:56][OH:57].[CH:35]1([N:40]=[C:41]=[O:42])[CH2:36][CH2:37][CH2:38][CH2:39]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[s:11][cH:12][c:13]([CH3:15])[n:14]2)([c:16]2[cH:17][c:18]([F:26])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[NH:27][S:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[n:6][cH:7]1.[ClH:34].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[s:11][cH:12][c:13]([CH3:15])[n:14]2)([c:16]2[cH:17][c:18]([F:26])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[NH:27][C:41]([NH:40][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)=[O:42])[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 643500Cyclopentyl IsocyanateHCID 72463475N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide

생성물 1

HCID 66934252
1-[1-(5-Chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-cyclopentylurea

출처 및 근거

ORD 기록
ord-013d0dac7cee4d629c915d01cb4ae45c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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