2-Nitro-4-toluonitrile → 4-Methyl-2-nitro-thiobenzamide

반응식

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

참가 물질

반응물 3

HCID 962352-Nitro-4-toluonitrile

HCID 683563Thiobenzamide

HCID 132443694-Methyl-2-nitrobenzamide

생성물 1

HCID 541688084-Methyl-2-nitro-thiobenzamide

출처 및 근거

ORD 기록: ord-d3fd855624b74ab39bc029c7b43a30be
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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