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Dimethylformamide → (RS) ethyl 3-{5-[2-(3-acetoxy-4-nitrophenyl)-acetylamino]-pyridin-2-yl}-butanoate

HRID 111994
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HRID 111994 반응식
[C:49]([CH3:50])(=[O:51])[O:52][c:53]1[cH:54][c:55]([CH2:62][C:63](=[O:64])[OH:65])[cH:56][cH:57][c:58]1[N+:59](=[O:60])[O-:61].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[NH2:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH3:39])[n:30][cH:31]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:25]([c:26]1[cH:27][cH:28][c:29]([CH:32]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH3:39])[n:30][cH:31]1)[C:63]([CH2:62][c:55]1[cH:54][c:53]([O:52][C:49]([CH3:50])=[O:51])[c:58]([N+:59](=[O:60])[O-:61])[cH:57][cH:56]1)=[O:64]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 17946639(3-Acetoxy-4-nitro-phenyl)acetic acidHCID 17946645ethyl (3RS)-3-(5-aminopyrid-2-yl)butyrate

생성물 1

HCID 17946656(RS) ethyl 3-{5-[2-(3-acetoxy-4-nitrophenyl)-acetylamino]-pyridin-2-yl}-butanoate

출처 및 근거

ORD 기록
ord-4db3c6f81a3c41f4905deaaae451ef0d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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