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Benzene → 2-Nitrobenzeneacetaldehyde

HRID 693243
노트
인쇄 미리보기

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HRID 693243 반응식
[C:43]([OH:44])(=[O:45])[C:46]([OH:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:61][S:62](=[O:63])[CH3:64].[CH:26]1([N:27]=[C:28]=[N:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[N+:14](=[O:15])([O-:16])[c:17]1[c:18]([CH2:23][CH2:24][OH:25])[cH:19][cH:20][cH:21][cH:22]1.[OH2:41].[OH2:42].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[cH:8]1[cH:9][cH:10][n:11][cH:12][cH:13]1>>[N+:14](=[O:15])([O-:16])[c:17]1[c:18]([CH2:23][CH:24]=[O:25])[cH:19][cH:20][cH:21][cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 962Water2회HCID 971Oxalic AcidHCID 1049PyridineHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 10868Dicyclohexylcarbodiimide
HCID 270542-Nitrophenethyl alcohol

생성물 1

HCID 108447642-Nitrobenzeneacetaldehyde

출처 및 근거

ORD 기록
ord-7e8cdbfde21f45dca9c2ffeb2d76716c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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