2-Butanamine, 3,3-dimethyl- → 3-(3,5-Bis(trifluoromethyl)phenylamino)-2-methylsulfonyl-3-(1,2,2-trimethylpropylamino)-propenenitrile

반응식

[CH3:26][CH:27]([C:28]([CH3:29])([CH3:30])[CH3:31])[NH2:32].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[C:15]([C:16]#[N:17])[S:18](=[O:19])(=[O:20])[CH3:21])[S:22][CH3:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[C:15]([C:16]#[N:17])[S:18](=[O:19])(=[O:20])[CH3:21])[NH:32][CH:27]([CH3:26])[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25]

참가 물질

반응물 2

HCID 5209072-Butanamine, 3,3-dimethyl-

HCID 739865843-(3,5-Bis(trifluoromethyl)phenylamino)-2-methanesulfonyl-3-methylsulfanyl-2-propenenitrile

생성물 1

HCID 739865823-(3,5-Bis(trifluoromethyl)phenylamino)-2-methylsulfonyl-3-(1,2,2-trimethylpropylamino)-propenenitrile

출처 및 근거

ORD 기록: ord-416d8add355e4b21add75a796105b550
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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