1,2-Dimethylpropylamine → 3-[3,5-Bis(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonyl-3-(3-methylbutan-2-ylamino)prop-2-enenitrile

HRID 108256

반응식

HRID 108256 반응식
[CH3:32][CH:33]([CH:34]([CH3:35])[CH3:36])[NH2:37].[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])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[S:28][CH3:29])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]>>[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])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[NH:37][CH:33]([CH3:32])[CH:34]([CH3:35])[CH3:36])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]

참가 물질

3

반응물 2

HCID 117311,2-DimethylpropylamineHCID 865837313-(3,5-Bis(trifluoromethyl)phenylamino)-2-(4-chlorophenylsulfonyl)-3-methylsulfanyl-2-propenenitrile

생성물 1

HCID 1732665583-[3,5-Bis(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonyl-3-(3-methylbutan-2-ylamino)prop-2-enenitrile

출처 및 근거

ORD 기록
ord-2cdec7ea6d5b40acaa44800dc9b73359
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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