Dichloromethane → 4-chloro-2-(6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)pyridine N-oxide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 70297m-Chloroperbenzoic acid

HCID 198956254-(4-chloro-2-pyridyl)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile

생성물 1

HCID 536365624-chloro-2-(6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)pyridine N-oxide

출처 및 근거

ORD 기록: ord-c2642e72c4c14cb99fe11838201a50dd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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