Dichloromethane → 6-nitro-2,2-dimethyl-3-(N'-methylthioureido)methyl-4-(2-oxo-1,2-dihydropyridin-1-yl)-2H-1-benzopyran

반응식

[CH3:25][N:26]=[C:27]=[S:28].[Cl:29][CH2:30][Cl:31].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:24]1)[C:9]([n:17]1[c:18](=[O:23])[cH:19][cH:20][cH:21][cH:22]1)=[C:10]([CH2:15][NH2:16])[C:11]([CH3:13])([CH3:14])[O:12]2>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:24]1)[C:9]([n:17]1[c:18](=[O:23])[cH:19][cH:20][cH:21][cH:22]1)=[C:10]([CH2:15][NH:16][C:27]([NH:26][CH3:25])=[S:28])[C:11]([CH3:13])([CH3:14])[O:12]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 11167Methyl isothiocyanate

HCID 193870526-nitro-2,2-dimethyl-3-aminomethyl-4-(2-oxo-1,2-dihydropyridin-1-yl)-2H-1-benzopyran

생성물 1

HCID 193870046-nitro-2,2-dimethyl-3-(N'-methylthioureido)methyl-4-(2-oxo-1,2-dihydropyridin-1-yl)-2H-1-benzopyran

출처 및 근거

ORD 기록: ord-9fc84f17ceac4e8089845d868efef81f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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