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Ammonium → 2-(2-Cyano-3-methylamino-4-nitrophenyl)-2-methyl-3-oxobutyric acid ethyl ester

HRID 1202492
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HRID 1202492 반응식
[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:33][S:34]([CH3:35])=[O:36].[CH3:7][CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[C:14](=[O:15])[CH3:16].[Cl-:31].[Cl:17][c:18]1[cH:19][cH:20][c:21]([N+:28](=[O:29])[O-:30])[c:22]([NH:26][CH3:27])[c:23]1[C:24]#[N:25].[K+:6].[NH4+:32]>>[CH3:7][C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])([C:14](=[O:15])[CH3:16])[c:18]1[cH:19][cH:20][c:21]([N+:28](=[O:29])[O-:30])[c:22]([NH:26][CH3:27])[c:23]1[C:24]#[N:25]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 701Ethyl 2-methylacetoacetateHCID 813Potassium CationHCID 45749132-Methylpropan-2-olateHCID 112180896-Chloro-2-(methylamino)-3-nitrobenzonitrile

생성물 1

출처 및 근거

ORD 기록
ord-3940f2e861f44797bed0fc2abeb822bc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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이 페이지에서참가 물질출처 및 근거반응 노트
HCID 12035471
2-(2-Cyano-3-methylamino-4-nitrophenyl)-2-methyl-3-oxobutyric acid ethyl ester