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

HRID 1540344
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HRID 1540344 반응식
[CH2:1]([N:2]([N:3]=[O:4])[C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][C:14]([F:17])([F:18])[CH2:15][CH2:16]1)[n:19]1[c:20](-[c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[n:21][c:22]2[c:23]1[cH:24][c:25]([F:29])[c:26]([F:28])[cH:27]2)=[O:37])[c:5]1[cH:6][cH:7][cH:8][cH:38][cH:39]1.[CH3:45][C:46]([OH:47])=[O:48].[Li+:42].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:41].[OH2:40].[OH2:54].[OH:43][OH:44]>>[C:9]([CH:10]([CH:11]1[CH2:12][CH2:13][C:14]([F:17])([F:18])[CH2:15][CH2:16]1)[n:19]1[c:20](-[c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[n:21][c:22]2[c:23]1[cH:24][c:25]([F:29])[c:26]([F:28])[cH:27]2)(=[O:37])[OH:47]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 86639901N-benzyl-N-nitroso-2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-(4,4-difluoro-cyclohexyl)-acetamide

생성물 1

HCID 66619456[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-(4,4-difluoro-cyclohexyl)-acetic acid

출처 및 근거

ORD 기록
ord-409d3ccd252c48a79009f2790647134a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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