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Hydrochloric Acid → N-(1-azabicyclo[2.2.2]octan-3-yl)-5-nitro-1-benzofuran-2-carboxamide

HRID 113153
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HRID 113153 반응식
[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:16].[ClH:17].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:9][c:10]([C:12](=[O:13])[OH:14])[o:11]2)[cH:15]1.[NH2:18][CH:19]1[CH2:20][N:21]2[CH2:22][CH2:23][CH:24]1[CH2:25][CH2:26]2.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:9][c:10]([C:12](=[O:14])[NH:18][CH:19]3[CH2:20][N:21]4[CH2:22][CH2:23][CH:24]3[CH2:25][CH2:26]4)[o:11]2)[cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1232383-AminoquinuclidineHCID 14771285-Nitrobenzofuran-2-carboxylic acidHCID 4641409
(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

생성물 1

HCID 72259174N-(1-azabicyclo[2.2.2]octan-3-yl)-5-nitro-1-benzofuran-2-carboxamide

출처 및 근거

ORD 기록
ord-2f8a5bbebc1347bebca8e2fcde1439a1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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