Acetonitrile → N'-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methylaminocarbonyl]-N,N-dimethyl-1,2-benzenedisulfonamide

반응식

[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].[CH3:31][C:32]#[N:33].[NH2:19][CH2:20][c:21]1[n:22][c:23]([O:29][CH3:30])[n:24][c:25]([O:27][CH3:28])[n:26]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][CH2:20][c:21]2[n:22][c:23]([O:29][CH3:30])[n:24][c:25]([O:27][CH3:28])[n:26]2)[cH:8][cH:9][cH:10][cH:11]1)[CH3:18]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 133926782-Aminomethyl-4,6-dimethoxy-1,3,5-triazine

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

생성물 1

HCID 13392680N'-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methylaminocarbonyl]-N,N-dimethyl-1,2-benzenedisulfonamide

출처 및 근거

ORD 기록: ord-d3facd62730f44c18ca06602b7e1f6e7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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