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Magnesium Cation → 3-[3,5-Bis(trifluoromethyl)phenylamino]-2-cyano-3-(3-methylbutylamino)-2-propenenitrile

HRID 290040
노트
인쇄 미리보기

반응식

HRID 290040 반응식
[CH3:23][CH:24]([CH2:25][CH2:26][NH2:27])[CH3:28].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:35][CH2:36][Cl:37].[F:6][C:7]([c:8]1[cH:9][c:10]([N:18]=[C:19]=[S:20])[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)([F:21])[F:22].[Hg:38]=[O:39].[Mg+2:29].[N:1]#[C:2][CH2:3][C:4]#[N:5].[O-:30][S:31](=[O:32])(=[O:33])[O-:34]>>[N:1]#[C:2][C:3]([C:4]#[N:5])=[C:19]([NH:18][c:10]1[cH:9][c:8]([C:7]([F:6])([F:21])[F:22])[cH:13][c:12]([C:14]([F:15])([F:16])[F:17])[cH:11]1)[NH:27][CH2:26][CH2:25][CH:24]([CH3:23])[CH3:28]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 888Magnesium CationHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 7894IsoamylamineHCID 8010MalononitrileHCID 8471TriethylamineHCID 30856Mercuric oxideHCID 2733395
3,5-Bis(trifluoromethyl)phenyl isothiocyanate

생성물 1

HCID 218484673-[3,5-Bis(trifluoromethyl)phenylamino]-2-cyano-3-(3-methylbutylamino)-2-propenenitrile

출처 및 근거

ORD 기록
ord-ad6f8b9e1e8045cdaf7820af51b110f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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