1,4-Dioxane → Carbamic acid, N-[[(3-bromo-5-cyclopropyl-2-pyridinyl)amino]thioxomethyl]-, ethyl ester

반응식

[Br:1][c:2]1[c:3]([NH2:11])[n:4][cH:5][c:6]([CH:8]2[CH2:9][CH2:10]2)[cH:7]1.[CH2:12]([CH3:13])[O:14][C:15](=[O:16])[N:17]=[C:18]=[S:19].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1>>[Br:1][c:2]1[c:3]([NH:11][C:18]([NH:17][C:15]([O:14][CH2:12][CH3:13])=[O:16])=[S:19])[n:4][cH:5][c:6]([CH:8]2[CH2:9][CH2:10]2)[cH:7]1

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 85320Ethyl isothiocyanatoformate

HCID 67334263HCID 67334263, 화합물

생성물 1

HCID 86656220Carbamic acid, N-[[(3-bromo-5-cyclopropyl-2-pyridinyl)amino]thioxomethyl]-, ethyl ester

출처 및 근거

ORD 기록: ord-85d54d743c4b4fc2a524e1d42fc423ce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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