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Hydrochloric Acid → 1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-[5-(3-fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-urea

HRID 146316
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반응식

HRID 146316 반응식
[CH2:23]([CH3:24])[c:25]1[cH:26][n:27][c:28]([CH2:30][CH2:31][NH2:32])[o:29]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[ClH:22].[F:1][c:2]1[cH:3][c:4](-[c:12]2[c:13]([CH3:21])[n:14][c:15]([NH:17][C:18](=[O:19])[NH2:20])[s:16]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[F:1][c:2]1[cH:3][c:4](-[c:12]2[c:13]([CH3:21])[n:14][c:15]([NH:17][C:18](=[O:19])[NH:20][CH2:31][CH2:30][c:28]3[n:27][cH:26][c:25]([CH2:23][CH3:24])[o:29]3)[s:16]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 312751,4-DioxaneHCID 115428012-(5-Ethyloxazol-2-yl)ethylamineHCID 57872135[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-urea

생성물 1

HCID 86598448
1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-[5-(3-fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-urea

출처 및 근거

ORD 기록
ord-4e6d4760c1b04ed0844c18f750836c65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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