Benzene → 5-(1-Chloro-2-methyl-2-nitropropyl)-2H-1,3-benzodioxole

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 24386Thionyl Chloride

HCID 234548521,1-Dimethyl-2-hydroxy-2-(3,4-methylenedioxyphenyl)nitroethane

생성물 1

HCID 234548395-(1-Chloro-2-methyl-2-nitropropyl)-2H-1,3-benzodioxole

출처 및 근거

ORD 기록: ord-cba01dc2f5c74b3fa2a7991e1cebbf1a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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