Dimethylformamide → 3-cyano-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 24386Thionyl Chloride

HCID 107855963-carbamoyl-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one

생성물 1

HCID 147224153-cyano-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one

출처 및 근거

ORD 기록: ord-9abb0ba1ea0e4af58cedef89924471d6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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