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Acetic Acid → [2-(4-Chloro-2-methyl-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

HRID 695476
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인쇄 미리보기

반응식

HRID 695476 반응식
[C:37]([O:38][C:40](=[O:41])[CH3:42])(=[O:39])[CH3:43].[CH2:1]([NH:2][C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[n:17]1[c:18](-[c:28]2[c:29]([CH3:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[n:19][c:20]2[c:21]1[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]2)=[O:36])[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH3:44][C:45](=[O:46])[OH:47].[N:48]([O-:49])=[O:50].[Na+:51]>>[C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[n:17]1[c:18](-[c:28]2[c:29]([CH3:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[n:19][c:20]2[c:21]1[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]2)(=[O:36])[OH:39]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 923Sodium IonHCID 946NitriteHCID 7918Acetic AnhydrideHCID 66619232N-benzyl-2-[2-(4-chloro-2-methyl-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetamide

생성물 1

HCID 66619270[2-(4-Chloro-2-methyl-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

출처 및 근거

ORD 기록
ord-dd22547d3d2e4978b8dcfe68e107a428
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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