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1,2-Dichloroethane → N-(5-bromo-2-fluorophenylmethyl)-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide

HRID 826846
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인쇄 미리보기

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HRID 826846 반응식
[Br:22][c:23]1[cH:24][cH:25][c:26]([F:31])[c:27]([CH2:28][NH2:29])[cH:30]1.[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][C:18](=[O:19])[OH:20])[c:11](=[O:16])[n:12]2[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1.[ClH:21].[ClH:55].[OH2:61].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][C:18](=[O:19])[NH:29][CH2:28][c:27]3[c:26]([F:31])[cH:25][cH:24][c:23]([Br:22])[cH:30]3)[c:11](=[O:16])[n:12]2[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2724904(5-Bromo-2-fluorophenyl)methanamine
HCID 42632357
[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetic acid

생성물 1

HCID 58012165N-(5-bromo-2-fluorophenylmethyl)-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide

출처 및 근거

ORD 기록
ord-778742d3be66440dabd44ce95801a896
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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