1,4-Dioxane → (2,4-Dichloro-3-isothiocyanato-benzyl)-carbamic acid tert-butyl ester

반응식

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][CH2:24][c:25]1[c:26]([Cl:33])[c:27]([NH2:32])[c:28]([Cl:31])[cH:29][cH:30]1)=[O:34].[C:1](=[S:2])([n:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1=[O:9])[n:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1=[O:16].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[C:1](=[S:2])=[N:32][c:27]1[c:26]([Cl:33])[c:25]([CH2:24][NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:34])[cH:30][cH:29][c:28]1[Cl:31]

참가 물질

반응물 3

HCID 312751,4-Dioxane

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

HCID 56839980(3-Amino-2,4-dichloro-benzyl)-carbamic acid tert-butyl ester

생성물 1

HCID 56840196(2,4-Dichloro-3-isothiocyanato-benzyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-b20cbfaf5b7b4083b8730516b233104f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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