Dichloromethane → 2-[3,4-dihydro-2,2-dimethyl-6-(4-nitrobenzoyl)-2H-1-benzopyran-4-yl]pyridine N-oxide

반응식

[CH3:1][C:2]1([CH3:29])[O:3][c:4]2[c:5]([cH:14][c:15]([C:18]([c:19]3[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)=[O:28])[cH:16][cH:17]2)[CH:6]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:7]1.[Cl:30][c:31]1[cH:32][cH:33][cH:34][c:35]([C:36]([O:37][OH:39])=[O:38])[cH:40]1.[Cl:41][CH2:42][Cl:43]>>[CH3:1][C:2]1([CH3:29])[O:3][c:4]2[c:5]([cH:14][c:15]([C:18]([c:19]3[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)=[O:28])[cH:16][cH:17]2)[CH:6]([c:8]2[n+:9]([O-:38])[cH:10][cH:11][cH:12][cH:13]2)[CH2:7]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 70297m-Chloroperbenzoic acid

HCID 198956403,4-dihydro-2,2-dimethyl-6-(4-nitrobenzoyl)-4-(2-pyridyl)-2H-1-benzopyran

생성물 1

HCID 542245832-[3,4-dihydro-2,2-dimethyl-6-(4-nitrobenzoyl)-2H-1-benzopyran-4-yl]pyridine N-oxide

출처 및 근거

ORD 기록: ord-a9df1eb9768f43ccb936bd6c36c44006
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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