Dichloromethane → 3-(5-isothiocyanato-2-methylphenyl)-1,7-dimethyl-1,6-naphthyridin-2(1H)-one

반응식

[C:22](=[S:23])([n:24]1[cH:25][cH:26][cH:27][cH:28][c:29]1=[O:30])[n:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1=[O:37].[Cl:38][CH2:39][Cl:40].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]3[cH:12][c:13]([CH3:18])[n:14][cH:15][c:16]3[cH:17]2)[cH:7]1>>[N:1]([c:2]1[cH:3][cH:4][c:5]([CH3:21])[c:6](-[c:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]3[cH:12][c:13]([CH3:18])[n:14][cH:15][c:16]3[cH:17]2)[cH:7]1)=[C:22]=[S:23]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 8531621,1'-Thiocarbonyldi-2(1H)-pyridone

HCID 592123103-(5-amino-2-methylphenyl)-1,7-dimethyl-1,6-naphthyridin-2(1H)-one

생성물 1

HCID 583690043-(5-isothiocyanato-2-methylphenyl)-1,7-dimethyl-1,6-naphthyridin-2(1H)-one

출처 및 근거

ORD 기록: ord-7512beeec7e64ccdaa895c9e7e70875b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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