HRID1543387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID83623

1-Nitro-2,2-bis(methylthio)ethylene

C4H7NO2S2

HCID3157484

2-Methyl-1-benzofuran-5-amine

C9H9NO

HCID18612553

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2cc(NC(=C[N+](=O)[O-])NC3CCc4ccccc4N(CC(=O)N4CCCC4)C3=O)ccc2o1

HCID70030043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee7afb58fda04df083a8b6f7359a6779
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:12][S:13][C:14](=[CH:15][N+:16](=[O:17])[O-:18])[S:19][CH3:20].[CH3:1][c:2]1[o:3][c:4]2[c:5]([cH:6]1)[cH:7][c:8]([NH2:11])[cH:9][cH:10]2.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:49][CH2:50][OH:51].[NH2:28][CH:29]1[C:30](=[O:48])[N:31]([CH2:40][C:41](=[O:42])[N:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)[c:32]2[c:33]([cH:36][cH:37][cH:38][cH:39]2)[CH2:34][CH2:35]1>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([cH:6]1)[cH:7][c:8]([NH:11][C:14](=[CH:15][N+:16](=[O:17])[O-:18])[NH:28][CH:29]1[C:30](=[O:48])[N:31]([CH2:40][C:41](=[O:42])[N:43]3[CH2:44][CH2:45][CH2:46][CH2:47]3)[c:32]3[c:33]([cH:36][cH:37][cH:38][cH:39]3)[CH2:34][CH2:35]1)[cH:9][cH:10]2