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Acetic Acid → N-benzyl-N-nitroso-2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclopentyl-acetamide

HRID 675483
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반응식

HRID 675483 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1)[n:16]1[c:17](-[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[n:18][c:19]2[c:20]1[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]2)=[O:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:39][C:40]([O:41][C:42](=[O:43])[CH3:44])=[O:45].[N:46](=[O:47])[O-:48].[Na+:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1)[n:16]1[c:17](-[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[n:18][c:19]2[c:20]1[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]2)=[O:34])[N:46]=[O:47]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 923Sodium IonHCID 946NitriteHCID 7918Acetic AnhydrideHCID 66619313N-benzyl-2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclopentyl-acetamide

생성물 1

HCID 86639902N-benzyl-N-nitroso-2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclopentyl-acetamide

출처 및 근거

ORD 기록
ord-283a044fa82846668816aa35c5fa5596
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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