Dichloromethane → 2-[[(4-Fluoro-6-trifluoromethoxypyrimidin-2-yl)aminocarbonyl]aminosulfonyl]benzenesulfonic acid N,N-dimethylamide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 133926792-(Dimethylsulfamoyl)benzene-1-sulfonyl isocyanate

HCID 150227162-Amino-4-fluoro-6-trifluoromethoxypyrimidine

생성물 1

HCID 231784442-[[(4-Fluoro-6-trifluoromethoxypyrimidin-2-yl)aminocarbonyl]aminosulfonyl]benzenesulfonic acid N,N-dimethylamide

출처 및 근거

ORD 기록: ord-1253374985944b798761ac0bc0c3d491
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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