Dichloromethane → 4-(3-Methylsulfamoyl-5-tri-fluoromethyl-phenyl)-6-(3-oxo-propyl)-pyrimidine-2-carbonitrile

반응식

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

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 578391264-(3-Hydroxy-propyl)-6-(3-methylsulphamoyl-5-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile

생성물 1

HCID 578391294-(3-Methylsulfamoyl-5-tri-fluoromethyl-phenyl)-6-(3-oxo-propyl)-pyrimidine-2-carbonitrile

출처 및 근거

ORD 기록: ord-8af27956e1fc4f51b9523279d5b17eec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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