Acetonitrile → N-[(3-Cyano-4,6-dimethylpyridin-2-yl)aminocarbonyl]-2-nitrobenzenesulfonamide

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 2304712-Amino-4,6-dimethyl-3-pyridinecarbonitrile

HCID 111388842-Nitrobenzenesulfonyl isocyanate

생성물 1

HCID 14050202N-[(3-Cyano-4,6-dimethylpyridin-2-yl)aminocarbonyl]-2-nitrobenzenesulfonamide

출처 및 근거

ORD 기록: ord-2da8aaa169654257bd4f17a9f4c6a872
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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