HRID282196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75044

Benzene, 1-isothiocyanato-4-nitro-

C7H4N2O2S

结构：O=C(OCc1ccccc1)C(CCc1nc(-c2ccccc2)c[nH]1)NCc1c[nH]c2ccccc12

HCID178525068

未命名化合物

PRODUCTS

生成物

结构：O=C1C(CCc2nc(-c3ccccc3)c[nH]2)N(Cc2c[nH]c3ccccc23)C(=S)N1c1ccc([N+](=O)[O-])cc1

HCID178515899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1970a19a550642c09e018f8054a7355f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:10]=[C:11]=[S:12])[cH:8][cH:9]1.[nH:13]1[cH:14][c:15]([CH2:22][NH:23][CH:24]([C:25](=[O:26])[O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:35][CH2:36][c:37]2[nH:38][cH:39][c:40](-[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[n:41]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[C:11](=[S:12])[N:23]([CH2:22][c:15]3[cH:14][nH:13][c:21]4[c:16]3[cH:17][cH:18][cH:19][cH:20]4)[CH:24]([CH2:35][CH2:36][c:37]3[nH:38][cH:39][c:40](-[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[n:41]3)[C:25]2=[O:26])[cH:8][cH:9]1