Thionyl Chloride → 1-Cyclohexyl-2-(2-methyl-4-nitrophenylimino)-3-thia-1-azaspiro[4.4]nonane

반응식

[CH3:19][c:20]1[c:21]([N:29]=[C:30]=[S:31])[cH:22][cH:23][c:24]([N+:26](=[O:27])[O-:28])[cH:25]1.[CH:1]1([NH:7][C:8]2([CH2:13][OH:14])[CH2:9][CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[S:15]([Cl:16])([Cl:17])=[O:18]>>[CH:1]1([N:7]2[C:8]3([CH2:9][CH2:10][CH2:11][CH2:12]3)[CH2:13][S:31][C:30]2=[N:29][c:21]2[c:20]([CH3:19])[cH:25][c:24]([N+:26](=[O:27])[O-:28])[cH:23][cH:22]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 24386Thionyl Chloride

HCID 1456212-Methyl-4-nitrophenyl isothiocyanate

HCID 183161421-(Cyclohexylamino)-1-(hydroxymethyl)cyclopentane

생성물 1

HCID 99075711-Cyclohexyl-2-(2-methyl-4-nitrophenylimino)-3-thia-1-azaspiro[4.4]nonane

출처 및 근거

ORD 기록: ord-063919e3589b429cad9696303c4c5b6b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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