1,4-Dioxane → N-(2,4-Difluoro-3-isothiocyanato-benzyl)-2,2-dimethyl-propionamide

반응식

[C:18](=[S:19])([n:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1=[O:26])[n:27]1[cH:28][cH:29][cH:30][cH:31][c:32]1=[O:33].[NH2:1][c:2]1[c:3]([F:17])[c:4]([CH2:5][NH:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[cH:13][cH:14][c:15]1[F:16].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1>>[N:1]([c:2]1[c:3]([F:17])[c:4]([CH2:5][NH:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[cH:13][cH:14][c:15]1[F:16])=[C:18]=[S:19]

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 8531621,1'-Thiocarbonyldi-2(1H)-pyridone

HCID 56839977N-(3-amino-2,4-difluoro-benzyl)-2,2-dimethyl-propionamide

생성물 1

HCID 56840193N-(2,4-Difluoro-3-isothiocyanato-benzyl)-2,2-dimethyl-propionamide

출처 및 근거

ORD 기록: ord-2e616c74e6ff45b58ee4e8bf4950db62
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…