Dimethylformamide → 6-Methyl-2[3-(p-nitrophenyl)ureido]-4-thiocyanatobenzothiazole

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 66012Benzene, 1-isocyanato-4-nitro-

HCID 124057302-Amino-6-methyl-4-thiocyanatobenzothiazole

생성물 1

HCID 124057346-Methyl-2[3-(p-nitrophenyl)ureido]-4-thiocyanatobenzothiazole

출처 및 근거

ORD 기록: ord-c33bfb8b8b3e417daa8c7edadb1f98e7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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